Heteroaromatic compounds

Organic compounds that contain one or more heterocycles that are aromatic; heterocycles are rings that contain atoms from two or more types of elements.

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Imidazole (Certified), Fisher Chemical

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 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: N1C=CN=C1

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PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

Imidazole (Molecular Biology), Fisher BioReagents™,50g

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Specifications

PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

2-(Bromomethyl)-5-(trifluoromethyl)furan, 97%, Thermo Scientific™

CAS: 17515-77-4 Molecular Formula: C6H4BrF3O Molecular Weight (g/mol): 229.00 MDL Number: MFCD03086219 InChI Key: YNHVBNGRNNVEMD-UHFFFAOYSA-N Synonym: 2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan PubChem CID: 2794605 IUPAC Name: 2-(bromomethyl)-5-(trifluoromethyl)furan SMILES: FC(F)(F)C1=CC=C(CBr)O1

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PubChem CID	2794605
CAS	17515-77-4
Molecular Weight (g/mol)	229.00
MDL Number	MFCD03086219
SMILES	FC(F)(F)C1=CC=C(CBr)O1
Synonym	2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan
IUPAC Name	2-(bromomethyl)-5-(trifluoromethyl)furan
InChI Key	YNHVBNGRNNVEMD-UHFFFAOYSA-N
Molecular Formula	C6H4BrF3O

2-Methylthiophene, 98%

CAS: 554-14-3 Molecular Formula: C₅H₆S Molecular Weight (g/mol): 98.16 MDL Number: MFCD00005451 InChI Key: XQQBUAPQHNYYRS-UHFFFAOYSA-N Synonym: thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204 PubChem CID: 11126 IUPAC Name: 2-methylthiophene SMILES: CC1=CC=CS1

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Specifications

PubChem CID	11126
CAS	554-14-3
Molecular Weight (g/mol)	98.16
MDL Number	MFCD00005451
SMILES	CC1=CC=CS1
Synonym	thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204
IUPAC Name	2-methylthiophene
InChI Key	XQQBUAPQHNYYRS-UHFFFAOYSA-N
Molecular Formula	C₅H₆S

4-(4-Pyridylmethyl)aniline, 97%, Thermo Scientific™

CAS: 27692-74-6 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD00053060 InChI Key: WZXYYQHVDJMIFF-UHFFFAOYSA-N Synonym: 4-4-pyridylmethyl aniline,4-pyridin-4-ylmethyl aniline,4-pyridin-4-ylmethyl-phenylamine,benzenamine, 4-4-pyridinylmethyl,4-4-pyridinylmethyl aniline,4-pyridin-4-yl methyl aniline,4-pyridin-4-ylmethyl phenyl amine,4-4-pyridylmethyl phenylamine,4-p-aminobenzylpyridine,enamine_005904 PubChem CID: 307158 IUPAC Name: 4-(pyridin-4-ylmethyl)aniline SMILES: C1=CC(=CC=C1CC2=CC=NC=C2)N

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Specifications

PubChem CID	307158
CAS	27692-74-6
Molecular Weight (g/mol)	184.242
MDL Number	MFCD00053060
SMILES	C1=CC(=CC=C1CC2=CC=NC=C2)N
Synonym	4-4-pyridylmethyl aniline,4-pyridin-4-ylmethyl aniline,4-pyridin-4-ylmethyl-phenylamine,benzenamine, 4-4-pyridinylmethyl,4-4-pyridinylmethyl aniline,4-pyridin-4-yl methyl aniline,4-pyridin-4-ylmethyl phenyl amine,4-4-pyridylmethyl phenylamine,4-p-aminobenzylpyridine,enamine_005904
IUPAC Name	4-(pyridin-4-ylmethyl)aniline
InChI Key	WZXYYQHVDJMIFF-UHFFFAOYSA-N
Molecular Formula	C12H12N2

2-Aminobenzothiazole, 98%

CAS: 136-95-8 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.199 MDL Number: MFCD00005785 InChI Key: UHGULLIUJBCTEF-UHFFFAOYSA-N Synonym: 2-aminobenzothiazole,2-benzothiazolamine,benzo d thiazol-2-amine,benzothiazol-2-ylamine,2-aminobenzthiazole,benzothiazole-2-ylamine,2-iminobenzothiazoline,o-aminobenzothiazole,benzothiazole, 2-amino,2-benzothiazolylamine PubChem CID: 8706 IUPAC Name: 1,3-benzothiazol-2-amine SMILES: C1=CC=C2C(=C1)N=C(S2)N

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Specifications

PubChem CID	8706
CAS	136-95-8
Molecular Weight (g/mol)	150.199
MDL Number	MFCD00005785
SMILES	C1=CC=C2C(=C1)N=C(S2)N
Synonym	2-aminobenzothiazole,2-benzothiazolamine,benzo d thiazol-2-amine,benzothiazol-2-ylamine,2-aminobenzthiazole,benzothiazole-2-ylamine,2-iminobenzothiazoline,o-aminobenzothiazole,benzothiazole, 2-amino,2-benzothiazolylamine
IUPAC Name	1,3-benzothiazol-2-amine
InChI Key	UHGULLIUJBCTEF-UHFFFAOYSA-N
Molecular Formula	C7H6N2S

Furfuryl alcohol, 98%

CAS: 98-00-0 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00003252 InChI Key: XPFVYQJUAUNWIW-UHFFFAOYSA-N Synonym: furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran PubChem CID: 7361 ChEBI: CHEBI:207496 IUPAC Name: furan-2-ylmethanol SMILES: C1=COC(=C1)CO

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PubChem CID	7361
CAS	98-00-0
Molecular Weight (g/mol)	98.101
ChEBI	CHEBI:207496
MDL Number	MFCD00003252
SMILES	C1=COC(=C1)CO
Synonym	furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran
IUPAC Name	furan-2-ylmethanol
InChI Key	XPFVYQJUAUNWIW-UHFFFAOYSA-N
Molecular Formula	C5H6O2

3-Furanmethanol, 99%

CAS: 4412-91-3 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00005352 InChI Key: STJIISDMSMJQQK-UHFFFAOYSA-N Synonym: 3-furanmethanol,furan-3-methanol,3-furylmethanol,3-hydroxymethyl furan,3-furfuryl alcohol,3-hydroxymethylfuran,3-furyl alcohol,furan-3-yl-methanol,furan-3-yl methanol,3-hydroxymethyl-furan PubChem CID: 20449 IUPAC Name: furan-3-ylmethanol SMILES: OCC1=COC=C1

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Specifications

PubChem CID	20449
CAS	4412-91-3
Molecular Weight (g/mol)	98.10
MDL Number	MFCD00005352
SMILES	OCC1=COC=C1
Synonym	3-furanmethanol,furan-3-methanol,3-furylmethanol,3-hydroxymethyl furan,3-furfuryl alcohol,3-hydroxymethylfuran,3-furyl alcohol,furan-3-yl-methanol,furan-3-yl methanol,3-hydroxymethyl-furan
IUPAC Name	furan-3-ylmethanol
InChI Key	STJIISDMSMJQQK-UHFFFAOYSA-N
Molecular Formula	C5H6O2

1,3,4-Triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene

CAS: 166773-08-6 Molecular Formula: C₂₀H₁₅N₃ Molecular Weight (g/mol): 297.36 MDL Number: MFCD00801868 InChI Key: QZHWOLKBXYORRO-UHFFFAOYSA-N Synonym: 2,4,5-triphenyl-4h-1,2,4-triazol-2-ium-3-ide,1,3,4-triphenyl-4,5-dihydro-1h-1,2,4-triazol-5-ylidene,1?3?4-triphenyl-4?5-dihydro-1h-1?2?4-triazol-5-ylidene PubChem CID: 2733186 SMILES: C1=CC=C(C=C1)C2=N[N+](=[C-]N2C3=CC=CC=C3)C4=CC=CC=C4

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Specifications

PubChem CID	2733186
CAS	166773-08-6
Molecular Weight (g/mol)	297.36
MDL Number	MFCD00801868
SMILES	C1=CC=C(C=C1)C2=N[N+](=[C-]N2C3=CC=CC=C3)C4=CC=CC=C4
Synonym	2,4,5-triphenyl-4h-1,2,4-triazol-2-ium-3-ide,1,3,4-triphenyl-4,5-dihydro-1h-1,2,4-triazol-5-ylidene,1?3?4-triphenyl-4?5-dihydro-1h-1?2?4-triazol-5-ylidene
InChI Key	QZHWOLKBXYORRO-UHFFFAOYSA-N
Molecular Formula	C₂₀H₁₅N₃

Pyrrole-2-carbonitrile, 97%

CAS: 4513-94-4 Molecular Formula: C5H4N2 Molecular Weight (g/mol): 92.10 MDL Number: MFCD00234061 InChI Key: BQMPGKPTOHKYHS-UHFFFAOYSA-N Synonym: pyrrole-2-carbonitrile,2-cyanopyrrole,unii-6d25bmc1pp,2-carbonitrilepyrrole,6d25bmc1pp,cyanopyrrole,2-cyano-pyrrol,pyrrole carbonitrile,1h-pyrrolecarbonitrile,1h-pyrrol-2-kohlenitrile PubChem CID: 138277 IUPAC Name: 1H-pyrrole-2-carbonitrile SMILES: N#CC1=CC=CN1

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Specifications

PubChem CID	138277
CAS	4513-94-4
Molecular Weight (g/mol)	92.10
MDL Number	MFCD00234061
SMILES	N#CC1=CC=CN1
Synonym	pyrrole-2-carbonitrile,2-cyanopyrrole,unii-6d25bmc1pp,2-carbonitrilepyrrole,6d25bmc1pp,cyanopyrrole,2-cyano-pyrrol,pyrrole carbonitrile,1h-pyrrolecarbonitrile,1h-pyrrol-2-kohlenitrile
IUPAC Name	1H-pyrrole-2-carbonitrile
InChI Key	BQMPGKPTOHKYHS-UHFFFAOYSA-N
Molecular Formula	C5H4N2

Di-2-pyridyl thionocarbonate, 97%

CAS: 96989-50-3 Molecular Formula: C₁₁H₈N₂O₂S Molecular Weight (g/mol): 232.26 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

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Specifications

PubChem CID	719784
CAS	96989-50-3
Molecular Weight (g/mol)	232.26
MDL Number	MFCD00074870
SMILES	C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2
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
IUPAC Name	dipyridin-2-yloxymethanethione
InChI Key	IKYOVSVBLHGFMA-UHFFFAOYSA-N
Molecular Formula	C₁₁H₈N₂O₂S

2-Mercaptobenzothiazole, 97%

CAS: 149-30-4 Molecular Formula: C₇H₅NS₂ Molecular Weight (g/mol): 167.24 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

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Specifications

PubChem CID	697993
CAS	149-30-4
Molecular Weight (g/mol)	167.24
ChEBI	CHEBI:34292
MDL Number	MFCD00005781
SMILES	C1=CC=C2C(=C1)NC(=S)S2
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
IUPAC Name	3H-1,3-benzothiazole-2-thione
InChI Key	YXIWHUQXZSMYRE-UHFFFAOYSA-N
Molecular Formula	C₇H₅NS₂

3-Hexylthiophene, 98%

CAS: 1693-86-3 Molecular Formula: C₁₀H₁₆S Molecular Weight (g/mol): 168.3 MDL Number: MFCD00143181 InChI Key: JEDHEMYZURJGRQ-UHFFFAOYSA-N Synonym: 3-n-hexylthiophene,thiophene, 3-hexyl,3-hexylthiopene,3-hexylthiophen,4-hexylthiophene,hexylthiophene 3-,pubchem8861,poly,3-hexylthiophene,3-hexylthiophene, 97+% PubChem CID: 566849 IUPAC Name: 3-hexylthiophene SMILES: CCCCCCC1=CSC=C1

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Specifications

PubChem CID	566849
CAS	1693-86-3
Molecular Weight (g/mol)	168.3
MDL Number	MFCD00143181
SMILES	CCCCCCC1=CSC=C1
Synonym	3-n-hexylthiophene,thiophene, 3-hexyl,3-hexylthiopene,3-hexylthiophen,4-hexylthiophene,hexylthiophene 3-,pubchem8861,poly,3-hexylthiophene,3-hexylthiophene, 97+%
IUPAC Name	3-hexylthiophene
InChI Key	JEDHEMYZURJGRQ-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆S

4-Vinylpyridine, 95%, stab. with 80 to 150ppm hydroquinone

CAS: 100-43-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006447 InChI Key: KFDVPJUYSDEJTH-UHFFFAOYSA-N Synonym: 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine PubChem CID: 7502 IUPAC Name: 4-ethenylpyridine SMILES: C=CC1=CC=NC=C1

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Specifications

PubChem CID	7502
CAS	100-43-6
Molecular Weight (g/mol)	105.14
MDL Number	MFCD00006447
SMILES	C=CC1=CC=NC=C1
Synonym	4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine
IUPAC Name	4-ethenylpyridine
InChI Key	KFDVPJUYSDEJTH-UHFFFAOYSA-N
Molecular Formula	C7H7N

2-Ethylpyridine, 98%

CAS: 100-71-0 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006361 InChI Key: NRGGMCIBEHEAIL-UHFFFAOYSA-N Synonym: pyridine, 2-ethyl,ethylpyridine,2-ethyl-pyridine,pyridine, ethyl,alpha-ethylpyridine,.alpha.-ethylpyridine,unii-06x1w46pyx,2-ethylpyridin,2-ethylpyridine,acmc-2097ry PubChem CID: 7523 IUPAC Name: 2-ethylpyridine SMILES: CCC1=CC=CC=N1

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Specifications

PubChem CID	7523
CAS	100-71-0
Molecular Weight (g/mol)	107.156
MDL Number	MFCD00006361
SMILES	CCC1=CC=CC=N1
Synonym	pyridine, 2-ethyl,ethylpyridine,2-ethyl-pyridine,pyridine, ethyl,alpha-ethylpyridine,.alpha.-ethylpyridine,unii-06x1w46pyx,2-ethylpyridin,2-ethylpyridine,acmc-2097ry
IUPAC Name	2-ethylpyridine
InChI Key	NRGGMCIBEHEAIL-UHFFFAOYSA-N
Molecular Formula	C7H9N

Heteroaromatic compounds

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