Heteroaromatic compounds

Alfa Aesar™ Imidazole, Molecular Biology Grade, ≥99%

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole, glyoxaline, imidazol, iminazole, miazole, 1,3-diazole, glyoxalin, imutex, 1,3-diaza-2,4-cyclopentadiene, pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: C1=CN=CN1

Alfa Aesar™ Di-2-pyridyl thionocarbonate, 98%

CAS: 96989-50-3 Molecular Formula: C11H8N2O2S Molecular Weight (g/mol): 232.257 MDL Number: MFCD00074870 InChI Key: IKYOVSVBLHGFMA-UHFFFAOYSA-N Synonym: di-2-pyridyl thionocarbonate, o,o-di pyridin-2-yl carbonothioate, o,o'-di-2-pyridyl thiocarbonate, o,o-dipyridin-2-yl carbonothioate, di 2-pyridyl thionocarbonate, carbonothioic acid, o,o-di-2-pyridinyl ester, di 2-pyridyloxy methane-1-thione, o,o-dipyridin-2-yl thiocarbonate, bis pyridin-2-yloxy methanethione, di-2-pyridyl thiocarbomate PubChem CID: 719784 IUPAC Name: dipyridin-2-yloxymethanethione SMILES: C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2

2-Amino-4-methylpyrimidine, 97%, Acros Organics

CAS: 108-52-1 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006101 InChI Key: GHCFWKFREBNSPC-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine, 2-pyrimidinamine, 4-methyl, 6-methyl-2-pyrimidinamine, pyrimidine, 2-amino-4-methyl, 4-methyl-2-pyrimidinamine, 2-amino-4-methyl-pyrimidine, 4-methylpyrimidin-2-ylamine, 4-methylpyrimidine-2-ylamine, 4-methyl-pyrimidin-2-ylamine, 2-amino-6-methylpyrimidine PubChem CID: 7939 IUPAC Name: 4-methylpyrimidin-2-amine SMILES: CC1=NC(=NC=C1)N

Alfa Aesar™ Furfuryl isopropyl sulfide, 99%

CAS: 1883-78-9 Molecular Formula: C8H12OS Molecular Weight (g/mol): 156.243 MDL Number: MFCD00040265 InChI Key: WCHRNAKORAINOJ-UHFFFAOYSA-N Synonym: furfuryl isopropyl sulfide, 2-isopropylthio methyl furan, isopropyl furfuryl sulfide, furfurylisopropylsulfide, unii-5ott266rl5, fema no. 3161, furan, 2-1-methylethyl thio methyl, furan, 2-isopropylthio methyl, 2-1-methylethyl thio methyl furan PubChem CID: 61282 IUPAC Name: 2-(propan-2-ylsulfanylmethyl)furan SMILES: CC(C)SCC1=CC=CO1

Alfa Aesar™ 5-Amino-3-methyl-1-phenyl-1H-pyrazole, ≥99%

CAS: 1131-18-6 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 MDL Number: MFCD00020727 InChI Key: FMKMKBLHMONXJM-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-1h-pyrazol-5-amine, 5-amino-3-methyl-1-phenylpyrazole, 1h-pyrazol-5-amine, 3-methyl-1-phenyl, 1-phenyl-3-methyl-5-aminopyrazole, 3-methyl-1-phenylpyrazol-5-ylamine, 5-methyl-2-phenyl-2h-pyrazol-3-ylamine, 1-phenyl-3-methyl-5-amino pyrazole, unii-x6087geb2p, pyrazole, 5-amino-3-methyl-1-phenyl, 1h-pyrazole-5-amine, 3-methyl-1-phenyl PubChem CID: 70801 IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C2=CC=CC=C2

Pyridine, for IR Spectroscopy, Fisher Chemical

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.102 MDL Number: 11732 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene, azine, pyridin, piridina, pirydyna, pyridin german, pirydyna polish, piridina italian, rcra waste number u196, caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

Alfa Aesar™ 2-Ethylfuran, 98+%

CAS: 3208-16-0 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00003259 InChI Key: HLPIHRDZBHXTFJ-UHFFFAOYSA-N Synonym: furan, 2-ethyl, alpha-ethylfuran, 2-ethyloxole, 2-ethyl furan, ccris 4387, unii-t8o6j71t9o, fema no. 3673, furan, .alpha.-ethyl, a-ethylfuran, 2-ethyl furane PubChem CID: 18554 IUPAC Name: 2-ethylfuran SMILES: CCC1=CC=CO1

2-Thiophenemethanol, 99+%, Acros Organics

CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.17 MDL Number: MFCD00005454 InChI Key: ZPHGMBGIFODUMF-UHFFFAOYSA-N Synonym: 2-thiophenemethanol, thiophene-2-methanol, 2-thienylmethanol, 2-hydroxymethylthiophene, 2-thenyl alcohol, 2-hydroxymethyl thiophene, thenyl alcohol, 2-thiophenecarbinol, thien-2-yl methanol, thiophen-2-yl methanol PubChem CID: 69467 IUPAC Name: thiophen-2-ylmethanol SMILES: C1=CSC(=C1)CO

Alfa Aesar™ Pyridine-2,4-dicarbonitrile, 97%

CAS: 29181-50-8 Molecular Formula: C7H3N3 Molecular Weight (g/mol): 129.122 MDL Number: MFCD00014627 InChI Key: HLAGQMFURMNTLW-UHFFFAOYSA-N Synonym: 2,4-dicyanopyridine, 2,4-pyridinedicarbonitrile, acmc-209wk1, 2 pound not4-pyridinedicarbonitrile, 2,4-pyridinedicarbonitrile 6ci,7ci,8ci,9ci PubChem CID: 120144 IUPAC Name: pyridine-2,4-dicarbonitrile SMILES: C1=CN=C(C=C1C#N)C#N

Alfa Aesar™ 3-Methyl-1-phenyl-1H-pyrazole, 98%

CAS: 1128-54-7 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00003123 InChI Key: RJXLUGSJEMSDPK-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-1h-pyrazole, 1-phenyl-3-methylpyrazole, pyrazole, 3-methyl-1-phenyl, 1h-pyrazole, 3-methyl-1-phenyl, 1h-pyrazole, methylphenyl, 1h-pyrazole,3-methyl-1-phenyl, acmc-20an11, ksc494g4n, rjxlugsjemsdpk-uhfffaoysa, 3-methyl-1-phenyl-1h-pyrazole # PubChem CID: 70783 IUPAC Name: 3-methyl-1-phenylpyrazole SMILES: CC1=NN(C=C1)C2=CC=CC=C2

Pyridine, 99.8%, for biochemistry, AcroSeal™, Acros Organics

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.1 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene, azine, pyridin, piridina, pirydyna, pyridin german, pirydyna polish, piridina italian, rcra waste number u196, caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

Alfa Aesar™ 2-Amino-4,6-dimethylpyrimidine, 98%

CAS: 767-15-7 Molecular Formula: C6H9N3 Molecular Weight (g/mol): 123.159 MDL Number: MFCD00006102 InChI Key: IDQNBVFPZMCDDN-UHFFFAOYSA-N Synonym: 2-amino-4,6-dimethylpyrimidine, acetylacetoneguanidine, 2-pyrimidinamine, 4,6-dimethyl, 4,6-dimethyl-2-pyrimidinamine, 4,6-dimethylpyrimidin-2-ylamine, 4,6-dimethyl-2-aminopyrimidine, pyrimidine, 2-amino-4,6-dimethyl, unii-4s48mi253m, 2-amine-4,6-dimethylpyrimidine, 2-amino-4,6-dimethyl pyrimidine PubChem CID: 13021 IUPAC Name: 4,6-dimethylpyrimidin-2-amine SMILES: CC1=CC(=NC(=N1)N)C

Alfa Aesar™ Tri(2-furyl)phosphine, 97%

CAS: 5518-52-5 Molecular Formula: C12H9O3P Molecular Weight (g/mol): 232.175 MDL Number: MFCD00151857 InChI Key: DLQYXUGCCKQSRJ-UHFFFAOYSA-N Synonym: tri 2-furyl phosphine, tri furan-2-yl phosphine, tri-2-furyl phosphine, tris furan-2-yl phosphane, tri-2-furylphosphine, tris 2-furyl phosphine, tri furan-2-yl phosphane, trifurylphosphine, tri fur-2-yl phosphane, tris 2-furanyl phosphine PubChem CID: 521585 IUPAC Name: tris(furan-2-yl)phosphane SMILES: C1=COC(=C1)P(C2=CC=CO2)C3=CC=CO3

Alfa Aesar™ trans-3-(3-Thienyl)acrylic acid, 98%

CAS: 102696-71-9 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 MDL Number: MFCD00014535 InChI Key: VYRYYUKILKRGDN-OWOJBTEDSA-N Synonym: 3-3-thienyl acrylic acid, 3-thien-3-ylacrylic acid, 3-thiophen-3-yl acrylic acid, trans-3-3-thienyl acrylic acid, 2e-3-thiophen-3-yl prop-2-enoic acid, e-3-thiophen-3-yl acrylic acid, 3-thiophen-3-yl prop-2-enoic acid, trans-3-3-thienyl acrylic, 2-propenoic acid, 3-3-thienyl-, 2e, 2e-3-3-thienyl prop-2-enoic acid PubChem CID: 735793 IUPAC Name: (E)-3-thiophen-3-ylprop-2-enoic acid SMILES: C1=CSC=C1C=CC(=O)O

Alfa Aesar™ 2-Amino-1,3,4-thiadiazole, 98+%

CAS: 4005-51-0 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.127 MDL Number: MFCD00003107 InChI Key: QUKGLNCXGVWCJX-UHFFFAOYSA-N Synonym: 2-amino-1,3,4-thiadiazole, aminothiadiazole, 2-aminothiadiazole, atda, aminothiadazole, unii-6l41aok74p, 1,3,4-thiadiazole, 2-amino, 1,3,4 thiadiazol-2-ylamine, 1,3,4-thiadiazol-2-ylamine PubChem CID: 19909 IUPAC Name: 1,3,4-thiadiazol-2-amine SMILES: C1=NN=C(S1)N

Alfa Aesar™ 2-Mercaptobenzothiazole, 97%

CAS: 149-30-4 Molecular Formula: C7H5NS2 Molecular Weight (g/mol): 167.244 MDL Number: MFCD00005781 InChI Key: YXIWHUQXZSMYRE-UHFFFAOYSA-N Synonym: 2-mercaptobenzothiazole, 2-benzothiazolethiol, captax, benzothiazolethiol, 2 3h-benzothiazolethione, benzothiazole-2-thiol, 1,3-benzothiazole-2-thiol, benzo d thiazole-2-thiol, rokon, rotax PubChem CID: 697993 ChEBI: CHEBI:34292 IUPAC Name: 3H-1,3-benzothiazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)S2

Benzimidazole, 98%, ACROS Organics™

CAS: 51-17-2 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00005585 InChI Key: HYZJCKYKOHLVJF-UHFFFAOYSA-N Synonym: benzimidazole, 1h-benzo d imidazole, 1,3-benzodiazole, benzoimidazole, o-benzimidazole, 3-azaindole, benziminazole, benzoglyoxaline, azindole, 1,3-diazaindene PubChem CID: 5798 ChEBI: CHEBI:41275 IUPAC Name: 1H-benzimidazole SMILES: C1=CC=C2C(=C1)NC=N2

3-(2-Furyl)propanoic acid, 98%, ACROS Organics™

CAS: 935-13-7 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 InChI Key: XLTJXJJMUFDQEZ-UHFFFAOYSA-N Synonym: 3-furan-2-yl propanoic acid, 3-2-furyl propanoic acid, 2-furanpropanoic acid, 2-furanpropionic acid, 3-2-furyl propionic acid, 3-furan-2-yl-propionic acid, furan-2-propionic acid, 3-2-furyl propoinic acid, furfuryl-essigsaure, furfurylacetic acid PubChem CID: 70286 IUPAC Name: 3-(furan-2-yl)propanoic acid SMILES: C1=COC(=C1)CCC(=O)O

Alfa Aesar™ 2-Thiopheneacetic acid, 98%

CAS: 1918-77-0 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.172 MDL Number: MFCD00005458 InChI Key: SMJRBWINMFUUDS-UHFFFAOYSA-N Synonym: 2-thiopheneacetic acid, 2-thienylacetic acid, thiopheneacetic acid, 2-thiophen-2-yl acetic acid, thiophene-2-acetic acid, 2-2-thienyl acetic acid, 2-thiophene acetic acid, thiophen-2-ylacetic acid, thien-2-yl acetic acid, 2-carboxymethyl thiophene PubChem CID: 15970 ChEBI: CHEBI:45807 IUPAC Name: 2-thiophen-2-ylacetic acid SMILES: C1=CSC(=C1)CC(=O)O

2-(2-Pyridyl)benzimidazole, 99%, ACROS Organics™

CAS: 1137-68-4 Molecular Formula: C12H9N3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD00005586 InChI Key: YNFBMDWHEHETJW-UHFFFAOYSA-N Synonym: 2-2-pyridyl benzimidazole, 2-pyridin-2-yl-1h-benzo d imidazole, 2-pyridin-2-yl-1h-benzoimidazole, 2-pyridin-2-yl-1h-1,3-benzodiazole, 2-pyridin-2-yl-1h-benzimidazole, chembl72683, 1h-benzimidazole, 2-pyridinyl, 1h-benzimidazole, 2-2-pyridinyl, acmc-20aime, 2 2-pyridyl benzimidazole PubChem CID: 70821 IUPAC Name: 2-pyridin-2-yl-1H-benzimidazole SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=CC=N3

Alfa Aesar™ 6-Methylquinoxaline, 96%

CAS: 6344-72-5 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.177 MDL Number: MFCD00041001 InChI Key: OSRARURJYPOUOV-UHFFFAOYSA-N Synonym: quinoxaline, 6-methyl, 6-methyl quinoxaline, 6-methyl-quinoxaline, acmc-1b9iq, ksc356q6h PubChem CID: 242567 IUPAC Name: 6-methylquinoxaline SMILES: CC1=CC2=NC=CN=C2C=C1

Pyridine, 99+%, extra pure, nonaqueous titration grade, ACROS Organics™

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.102 MDL Number: MFCD00011732 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene, azine, pyridin, piridina, pirydyna, pyridin german, pirydyna polish, piridina italian, rcra waste number u196, caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

Alfa Aesar™ Benzothiazole-6-carbonitrile, 98%

CAS: 58249-61-9 Molecular Formula: C8H4N2S Molecular Weight (g/mol): 160.194 MDL Number: MFCD06659656 InChI Key: WYRRTJKOMZONQO-UHFFFAOYSA-N Synonym: 6-cyanobenzothiazole, benzothiazole-6-carbonitrile, benzo d thiazole-6-carbonitrile, 6-benzothiazolecarbonitrile, 6-benzo d thiazolecarbonitrile, 6-cyanobenzothiazol, 6-cyanobenzthiazole, 6-benzothiazolecarbonitrile 6ci,9ci PubChem CID: 10607144 IUPAC Name: 1,3-benzothiazole-6-carbonitrile SMILES: C1=CC2=C(C=C1C#N)SC=N2

Alfa Aesar™ 6-Methylindole, 98%

CAS: 3420-02-8 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005682 InChI Key: ONYNOPPOVKYGRS-UHFFFAOYSA-N Synonym: 6-methylindole, 1h-indole, 6-methyl, 6-methyl indole, indole, 6-methyl, pubchem7240, 6-methyl-indole, acmc-1cokr, #, ksc491i2r PubChem CID: 137928 IUPAC Name: 6-methyl-1H-indole SMILES: CC1=CC2=C(C=C1)C=CN2

Sulfur trioxide pyridine complex, technical, 48-50% active SO3, Acros Organics

CAS: 26412-87-3 Molecular Formula: C5H5NO3S Molecular Weight (g/mol): 159.16 MDL Number: MFCD00012437 InChI Key: UDYFLDICVHJSOY-UHFFFAOYSA-N Synonym: pyridine sulfur trioxide, sulfur trioxide pyridine complex, pyridine; sulfur trioxide, pyridine sulfotrioxide, pyridine compound with sulfur trioxide 1:1, sulfur trioxide, compd. with pyridine, pyridine-sulfur trioxide complex, active sulfure trioxide, sulfur trioxide-pyridine, pyridine-sulfur trioxide PubChem CID: 168533 IUPAC Name: pyridine;sulfur trioxide SMILES: C1=CC=NC=C1.O=S(=O)=O

Alfa Aesar™ 2-Cyanopyridine, 99%

CAS: 100-70-9 Molecular Formula: C6H4N2 Molecular Weight (g/mol): 104.112 MDL Number: MFCD00006218 InChI Key: FFNVQNRYTPFDDP-UHFFFAOYSA-N Synonym: 2-cyanopyridine, picolinonitrile, 2-pyridinecarbonitrile, pyridinecarbonitrile, 2-pyridyl nitrile, picolinic acid nitrile, cyanopyridine, unii-whr1dpg7ys, 2-pyridinecarboxylic acid, nitrile, 2-cyano pyridine PubChem CID: 7522 ChEBI: CHEBI:27837 IUPAC Name: pyridine-2-carbonitrile SMILES: C1=CC=NC(=C1)C#N

5-Amino-1,3,4-thiadiazole-2-thiol, 98%, Acros Organics

CAS: 2349-67-9 Molecular Formula: C2H3N3S2 Molecular Weight (g/mol): 133.2 MDL Number: MFCD00003108 InChI Key: GDGIVSREGUOIJZ-UHFFFAOYSA-N Synonym: 5-amino-1,3,4-thiadiazole-2-thiol, 2-amino-5-mercapto-1,3,4-thiadiazole, usaf pd-25, 1,3,4-thiadiazole-2 3h-thione, 5-amino, unii-b1heg7v21s, 5-amino-1,3,4-thiadiazole-2 3h-thione, 2-amino-1,3,4-thiadiazole-5-thiol, 2-thiol-5-amino-1,3,4-thiadiazole, ccris 6893, 2-mercapto-5-amino-1,3,4-thiadiazole PubChem CID: 2723847 IUPAC Name: 5-amino-3H-1,3,4-thiadiazole-2-thione SMILES: C1(=NNC(=S)S1)N

Alfa Aesar™ 2-Amino-4-methylpyrimidine, 98%

CAS: 108-52-1 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006101 InChI Key: GHCFWKFREBNSPC-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine, 2-pyrimidinamine, 4-methyl, 6-methyl-2-pyrimidinamine, pyrimidine, 2-amino-4-methyl, 4-methyl-2-pyrimidinamine, 2-amino-4-methyl-pyrimidine, 4-methylpyrimidin-2-ylamine, 4-methylpyrimidine-2-ylamine, 4-methyl-pyrimidin-2-ylamine, 2-amino-6-methylpyrimidine PubChem CID: 7939 IUPAC Name: 4-methylpyrimidin-2-amine SMILES: CC1=NC(=NC=C1)N

Pyridine, 99+%, extra pure, ACROS Organics™

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.102 MDL Number: MFCD00011732 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene, azine, pyridin, piridina, pirydyna, pyridin german, pirydyna polish, piridina italian, rcra waste number u196, caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

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