Isothiocyanates

Alfa Aesar™ 3,4-Dichlorobenzyl isothiocyanate, 97%

CAS: 18967-42-5 Molecular Formula: C8H5Cl2NS Molecular Weight (g/mol): 218.095 MDL Number: MFCD00041113 InChI Key: DPSSHXWTNIGVMQ-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl isothiocyanate, 1,2-dichloro-4-isothiocyanatomethyl benzene, isothiocyanic acid, 3,4-dichlorobenzyl ester, benzene, 1,2-dichloro-4-isothiocyanatomethyl, acmc-1bqjy, wln: scn1r cg dg, 4-12-00-02393 beilstein handbook reference, 3,4-dichlorobenzylisothiocyanate, 3,4-dichlorophenyl methanisothiocyanate, isothiocyanic acid,4-dichlorobenzyl ester PubChem CID: 29350 IUPAC Name: 1,2-dichloro-4-(isothiocyanatomethyl)benzene SMILES: C1=CC(=C(C=C1CN=C=S)Cl)Cl

Alfa Aesar™ 4-Nitrophenyl isothiocyanate, 97%

CAS: 2131-61-5 Molecular Formula: C7H4N2O2S Molecular Weight (g/mol): 180.181 MDL Number: MFCD00007307 InChI Key: NXHSSIGRWJENBH-UHFFFAOYSA-N Synonym: 4-nitrophenyl isothiocyanate, 4-nitrophenylisothiocyanate, p-nitrophenyl isothiocyanate, benzene, 1-isothiocyanato-4-nitro, isothiocyanic acid 4-nitrophenyl ester, 1-isothiocyanato-4-nitro-benzene, 4-nitrobenzenisothiocyanate, 4-nitrophenyl isothiocyanate 25gr, pubchem13428, 4nitrophenyl isothiocyanate PubChem CID: 75044 IUPAC Name: 1-isothiocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=S)[N+](=O)[O-]

Cyclopropyl isothiocyanate, 97%, Maybridge™

CAS: 56601-42-4 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00040874 InChI Key: JGFBQFKZKSSODQ-UHFFFAOYSA-N Synonym: cyclopropyl isothiocyanate, cyclopropane, isothiocyanato, isothiocyanato-cyclopropane, cyclopropylisothiocyanate, acmc-20albt, pubchem22785, cyclopropyl iso-thiocyanate, cyclopropane,isothiocyanato PubChem CID: 92463 IUPAC Name: isothiocyanatocyclopropane SMILES: C1CC1N=C=S

Alfa Aesar™ 2-Methoxyethyl isothiocyanate, 98+%

CAS: 38663-85-3 Molecular Formula: C4H7NOS Molecular Weight (g/mol): 117.166 MDL Number: MFCD00041126 InChI Key: HTSAVXAFEVUJQE-UHFFFAOYSA-N Synonym: 2-methoxyethyl isothiocyanate, ethane, 1-isothiocyanato-2-methoxy, 2-methoxyethylisothiocyanate, 1-isothiocyanato-2-methoxy-ethane, 1-isothiocyanato-2-methoxyethane, 2-methoxyethanisothiocyanate, acmc-1aezw, 2-methoxy ethyl isothiocyanate, #, ethane,1-isothiocyanato-2-methoxy PubChem CID: 123475 IUPAC Name: 1-isothiocyanato-2-methoxyethane SMILES: COCCN=C=S

Alfa Aesar™ tert-Butyl isothiocyanate, 97%

CAS: 590-42-1 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.194 MDL Number: MFCD00004816 InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N Synonym: tert-butyl isothiocyanate, t-butyl isothiocyanate, propane, 2-isothiocyanato-2-methyl, tert-butylisothiocyanate, tert.-butyl isothiocyanate, 2-isothiocyanato-2-methyl-propane, tert butyl isothiocyanate, tert-butyliso thiocyanate, butyl isothiocyanate, tert, t-butylisothiocyanate PubChem CID: 11544 IUPAC Name: 2-isothiocyanato-2-methylpropane SMILES: CC(C)(C)N=C=S

Alfa Aesar™ 1,4-Butane diisothiocyanate, 98%

CAS: 4430-51-7 Molecular Formula: C6H8N2S2 Molecular Weight (g/mol): 172.264 MDL Number: MFCD00041136 InChI Key: RRSISCMPUAGVJN-UHFFFAOYSA-N Synonym: 1,4-butane diisothiocyanate, butane, 1,4-diisothiocyanato, tetramethylene diisothiocyanate, # PubChem CID: 138238 IUPAC Name: 1,4-diisothiocyanatobutane SMILES: C(CCN=C=S)CN=C=S

2,5-dichlorophenyl isothiocyanate, Maybridge™

CAS: 3386-42-3 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.068 InChI Key: JHTPBGFVWWSHDL-UHFFFAOYSA-N Synonym: 2,5-dichlorophenyl isothiocyanate, 2,5-dichlorophenylisothiocyanate, acmc-1cjox, 2,5-dichlorobenzenisothiocyanate, #, benzene,1,4-dichloro-2-isothiocyanato, benzene, 1,4-dichloro-2-isothiocyanato, 1,4-bis chloranyl-2-isothiocyanato-benzene PubChem CID: 137915 IUPAC Name: 1,4-dichloro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)N=C=S)Cl

Alfa Aesar™ Cyclohexyl isothiocyanate, 98%

CAS: 1122-82-3 Molecular Formula: C7H11NS Molecular Weight (g/mol): 141.232 MDL Number: MFCD00003841 InChI Key: MZSJGCPBOVTKHR-UHFFFAOYSA-N Synonym: cyclohexyl isothiocyanate, cyclohexane, isothiocyanato, isothiocyanocyclohexane, cyclohexyl-isothiocyanat, isothiocyanic acid, cyclohexyl ester, cyclohexylisothiocyanate, cyclohexyl isothiocyanate, isothiocyanato, cyclohexyl-isothiocyanat german, isothiocyanato-cyclohexane, isothiocyanic acid cyclohexyl ester PubChem CID: 14289 IUPAC Name: isothiocyanatocyclohexane SMILES: C1CCC(CC1)N=C=S

Alfa Aesar™ Ethyl 3-isothiocyanatopropionate, 97%

CAS: 17126-62-4 Molecular Formula: C6H9NO2S Molecular Weight (g/mol): 159.203 MDL Number: MFCD00041130 InChI Key: UPTRONYNXNYITM-UHFFFAOYSA-N Synonym: ethyl 3-isothiocyanatopropionate, 3-isothiocyanato-propionic acid ethyl ester, acmc-1ca2j, ethyl-3-isothiocynato propionate, isothiocyanato-propionic acid ethyl ester, 3-isothiocyanatopropionic acid ethyl ester, propanoic acid,3-isothiocyanato-,ethyl ester, propanoic acid,3-isothiocyanato-, ethyl ester PubChem CID: 526514 IUPAC Name: ethyl 3-isothiocyanatopropanoate SMILES: CCOC(=O)CCN=C=S

4-chloro-3-nitrophenyl isothiocyanate, Maybridge™

CAS: 127142-66-9 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.623 InChI Key: ZXGZBHIDSJXKLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrophenyl isothiocyanate, 4-chloro-3-nitrophenylisothiocyanate, acmc-1c0qb, 4-chloro-3-nitrobenzenisothiocyanate, #, benzene,1-chloro-4-isothiocyanato-2-nitro, 1-chloranyl-4-isothiocyanato-2-nitro-benzene PubChem CID: 145581 IUPAC Name: 1-chloro-4-isothiocyanato-2-nitrobenzene SMILES: C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl

Alfa Aesar™ 3-(Methylthio)propyl isothiocyanate, 98%

CAS: 505-79-3 Molecular Formula: C5H9NS2 Molecular Weight (g/mol): 147.254 MDL Number: MFCD00209521 InChI Key: LDKSCZJUIURGMW-UHFFFAOYSA-N Synonym: 3-methylthio propyl isothiocyanate, iberverin, 3-methylthiopropyl isothiocyanate, ibervirin, propane, 1-isothiocyanato-3-methylthio, unii-ytt13bn94z, 3-methylmercaptopropyl isothiocyanate, isothiocyanic acid, 3-methylthio propyl ester, 1-isothiocyanato-3-methylthio propane, fema no. 3312 PubChem CID: 62351 IUPAC Name: 1-isothiocyanato-3-methylsulfanylpropane SMILES: CSCCCN=C=S

Alfa Aesar™ 2,6-Dichlorophenyl isothiocyanate, 98+%

CAS: 6590-95-0 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.068 MDL Number: MFCD00041056 InChI Key: SUCGVQHNGIQXGD-UHFFFAOYSA-N Synonym: 2,6-dichlorophenyl isothiocyanate, 2,6-dichlorophenylisothiocyanate, benzene, 1,3-dichloro-2-isothiocyanato, 1,3-dichloro-2-isothiocyanato-benzene, benzene,1,3-dichloro-2-isothiocyanato, c7h3c12ns, 2,6-dichlorobenzenisothiocyanate, 2,6-dichlorophenyl-isothiocyanate, 1,3-dichloro-2-thioisocyanato-benzene, 2,6-dichloro-1-isothiocyanato-benzene PubChem CID: 123239 IUPAC Name: 1,3-dichloro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C(=C1)Cl)N=C=S)Cl

Alfa Aesar™ Cyclopentyl isothiocyanate, 98%

CAS: 33522-03-1 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00040877 InChI Key: PJOODZCPFADLCI-UHFFFAOYSA-N Synonym: cyclopentyl isothiocyanate, cyclopentane, isothiocyanato, isothiocyanato-cyclopentane, cyclopentanisothiocyanate, cyclopentylisothiocyanate, acmc-20albz PubChem CID: 141792 IUPAC Name: isothiocyanatocyclopentane SMILES: C1CCC(C1)N=C=S

Alfa Aesar™ 4-Benzyloxyphenyl isothiocyanate, 98%

CAS: 139768-71-1 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 MDL Number: MFCD00041095 InChI Key: OQXRBXAFSXVCCO-UHFFFAOYSA-N Synonym: 4-benzyloxyphenyl isothiocyanate, 4-benzyloxyphenylisothiocyanate, 1-benzyloxy-4-isothiocyanatobenzene, 4-phenylmethoxy benzenisothiocyanate, acmc-20amoj, 4-benzyloxyisothiocyanate, 4-phenylmethoxyphenylisothiocyanate, 4-benzyloxy phenyl isothiocyanate, 4-phenylmethoxy phenyl isothiocyanate, 1-isothiocyanato-4-phenylmethoxy-benzene PubChem CID: 2735503 IUPAC Name: 1-isothiocyanato-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S

Alfa Aesar™ 3-Carboxyphenyl isothiocyanate, 97%

CAS: 2131-63-7 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.193 MDL Number: MFCD00041367 InChI Key: PJRBPKOOGLKPFB-UHFFFAOYSA-N Synonym: 3-carboxyphenyl isothiocyanate, 3-carboxyphenylisothiocyanate, benzoic acid, 3-isothiocyanato, benzoic acid,3-isothiocyanato, acmc-20an7x, m-carboxyphenyl isothiocyanate, 3-isothiocyanato-benzoic acid, # PubChem CID: 75046 IUPAC Name: 3-isothiocyanatobenzoic acid SMILES: C1=CC(=CC(=C1)N=C=S)C(=O)O

Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol, ACROS Organics™

CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate, mustard oil, redskin, allylsenevol, allylsenfoel, allyl mustard oil, oleum sinapis, oil of mustard, allylsevenolum, senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S

Alfa Aesar™ 4-n-Butyl-2-methylphenyl isothiocyanate, 95%

CAS: 175205-37-5 Molecular Formula: C12H15NS Molecular Weight (g/mol): 205.319 MDL Number: MFCD00276966 InChI Key: BJMLHJJEHDPCKW-UHFFFAOYSA-N Synonym: 4-n-butyl-2-methylphenyl isothiocyanate, p-n-butyl-o-tolyl isothiocyanate, 4-butyl-2-methylbenzenisothiocyanate, 4-n-butyl-2-methylphenylisothiocyanate, benzene, 4-butyl-1-isothiocyanato-2-methyl-9ci PubChem CID: 7020482 IUPAC Name: 4-butyl-1-isothiocyanato-2-methylbenzene SMILES: CCCCC1=CC(=C(C=C1)N=C=S)C

4-(1H-Pyrazol-1-yl)phenyl isothiocyanate, 97%, Maybridge™

CAS: 352018-96-3 Molecular Formula: C10H7N3S Molecular Weight (g/mol): 201.247 MDL Number: MFCD02681939 InChI Key: GLAOJNMWLIFKCG-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-yl phenyl isothiocyanate, 1-4-isothiocyanatophenyl pyrazole, 4-1h-pyrazol-1-yl phenylisothiocyanate, 1h-pyrazole,1-4-isothiocyanatophenyl, 1h-pyrazole, 1-4-isothiocyanatophenyl, 4-pyrazolylbenzenisothiocyanate, 4-1h-pyrazole-1-yl phenyl isothiocyanate PubChem CID: 2776478 IUPAC Name: 1-(4-isothiocyanatophenyl)pyrazole SMILES: C1=CN(N=C1)C2=CC=C(C=C2)N=C=S

Phenyl isothiocyanate, 98%, ACROS Organics™

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.19 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate, phenylisothiocyanate, thiocarbanil, phenyl mustard oil, benzene, isothiocyanato, pitc, isothiocyanic acid phenyl ester, benzene-1-isothiocyanate, phenylsenfoel, phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=S

Pentyl isothiocyanate, 95+%, Maybridge™

CAS: 629-12-9 Molecular Formula: C6H11NS Molecular Weight (g/mol): 129.221 InChI Key: SGHJUJBYMSVAJY-UHFFFAOYSA-N Synonym: pentyl isothiocyanate, n-amyl isothiocyanate, 1-pentyl isothiocyanate, amyl isothiocyanate, n-pentyl isothiocyanate, pentylisothiocyanate, unii-kl6u8nl15r, n-amylisothiocyanate, 1-isothiocyanato-pentane, pentane,1-isothiocyanato PubChem CID: 69415 IUPAC Name: 1-isothiocyanatopentane SMILES: CCCCCN=C=S

Alfa Aesar™ 3-Cyanophenyl isothiocyanate, 97%

CAS: 3125-78-8 Molecular Formula: C8H4N2S Molecular Weight (g/mol): 160.194 MDL Number: MFCD00041070 InChI Key: UXCYPHCFQAFVFH-UHFFFAOYSA-N Synonym: 3-cyanophenyl isothiocyanate, benzonitrile, 3-isothiocyanato, m-cyanophenyl isothiocyanate, 3-cyanophenylisothiocyanate, acmc-1bn6o, benzonitrile,3-isothiocyanato, 3-isothiocyanatobenzenecarbonitrile PubChem CID: 76578 IUPAC Name: 3-isothiocyanatobenzonitrile SMILES: C1=CC(=CC(=C1)N=C=S)C#N

Alfa Aesar™ Cyclopropyl isothiocyanate, 97%

CAS: 56601-42-4 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00040874 InChI Key: JGFBQFKZKSSODQ-UHFFFAOYSA-N Synonym: cyclopropyl isothiocyanate, cyclopropane, isothiocyanato, isothiocyanato-cyclopropane, cyclopropylisothiocyanate, acmc-20albt, pubchem22785, cyclopropyl iso-thiocyanate, cyclopropane,isothiocyanato PubChem CID: 92463 IUPAC Name: isothiocyanatocyclopropane SMILES: C1CC1N=C=S

Alfa Aesar™ Cyclododecyl isothiocyanate, 98%

CAS: 59037-64-8 Molecular Formula: C13H23NS Molecular Weight (g/mol): 225.394 MDL Number: MFCD00041029 InChI Key: VSCLPFIUOOBLQJ-UHFFFAOYSA-N Synonym: cyclododecyl isothiocyanate, acmc-1atsj, cyclododecane,isothiocyanato, cyclododecylisothiocyanate PubChem CID: 143589 IUPAC Name: isothiocyanatocyclododecane SMILES: C1CCCCCC(CCCCC1)N=C=S

3,4-Dimethoxyphenethyl isothiocyanate, 95%, Maybridge™

CAS: 21714-25-0 Molecular Formula: C11H13NO2S Molecular Weight (g/mol): 223.29 InChI Key: GHYFLDWHIVKQLS-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl isothiocyanate, 4-2-isothiocyanatoethyl-1,2-dimethoxybenzene, 2-3,4-dimethoxyphenyl ethyl isothiocyanate, benzene, 4-2-isothiocyanatoethyl-1,2-dimethoxy, 2-3,4-dimethoxyphenyl ethanisothiocyanate, acmc-20anep, 3,4-dimethoxyphenethylisothiocyanate, b-3,4-dimethoxyphenyl ethyl isothiocyanate, 3,4-dimethoxy-1-2-isothiocyanatoethyl benzene, 4-2-isothiocyanatoethyl-1,2-dimethoxy-benzene PubChem CID: 140856 IUPAC Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)CCN=C=S)OC

Alfa Aesar™ 2-(4-Morpholinyl)ethyl isothiocyanate, 97%

CAS: 63224-35-1 Molecular Formula: C7H12N2OS Molecular Weight (g/mol): 172.246 MDL Number: MFCD00041221 InChI Key: SDNSCXCXVQHBGH-UHFFFAOYSA-N Synonym: 2-morpholinoethyl isothiocyanate, 4-2-isothiocyanatoethyl morpholine, 2-4-morpholino ethyl isothiocyanate, 2-morpholinoethylisothiocyanate, 4-2-isothiocyanato-ethyl-morpholine, 2-morpholin-4-ylethanisothiocyanate, 2-4-morpholinyl ethyl isothiocyanate, 4-2-isothiocyanatoethyl morpholine # PubChem CID: 143957 IUPAC Name: 4-(2-isothiocyanatoethyl)morpholine SMILES: C1COCCN1CCN=C=S

Alfa Aesar™ 4-Ethoxyphenyl isothiocyanate, 98%

CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 MDL Number: MFCD00041096 InChI Key: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonym: 4-ethoxyphenyl isothiocyanate, 4-isothiocyanatophenetol, p-ethoxyphenyl isothiocyanate, 1-ethoxy-4-isothiocyanato-benzene, benzene, 1-ethoxy-4-isothiocyanato, 4-ethoxyphenylisothiocyanate, 4-ethoxybenzenisothiocyanate, acmc-20amjc, pubchem9560, p-ethoxyphenylisothiocyanate PubChem CID: 77006 IUPAC Name: 1-ethoxy-4-isothiocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=S

Alfa Aesar™ 3-Benzyloxyphenyl isothiocyanate, 97%

CAS: 206559-36-6 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 MDL Number: MFCD00060374 InChI Key: QJLFNDXMZQJMDL-UHFFFAOYSA-N Synonym: 3-benzyloxyphenyl isothiocyanate, 3-benzyloxyphenylisothiocyanate, 1-benzyloxy-3-isothiocyanatobenzene, acmc-20an9f, 3-phenylmethoxy benzenisothiocyanate, 1-benzyloxy-3-isothiocyanatobenzene #, 1-isothiocyanato-3-phenylmethoxy-benzene, benzene, 1-isothiocyanato-3-phenylmethoxy, benzene, 1-isothiocyanato-3-phenylmethoxy-9ci PubChem CID: 561446 IUPAC Name: 1-isothiocyanato-3-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N=C=S

Alfa Aesar™ 1-Propyl isothiocyanate, 97%

CAS: 628-30-8 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.167 MDL Number: MFCD00004823 InChI Key: KKASGUHLXWAKEZ-UHFFFAOYSA-N Synonym: propyl isothiocyanate, propylisothiocyanate, propane, 1-isothiocyanato, n-propyl isothiocyanate, isothiocyanic acid propyl ester, isothiocyanic acid, propyl ester, isothiocyanic acid n-propyl ester, 1-propyl isothiocyanate, propanisothiocyanate, 1-isothiocyanatopropan PubChem CID: 69403 IUPAC Name: 1-isothiocyanatopropane SMILES: CCCN=C=S

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