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.

121 – 135 of 2,109 results

121

3,5-Pyrazoledicarboxylic acid monohydrate, 97%

CAS: 303180-11-2 Molecular Formula: C₅H₄N₂O₄·H₂O Molecular Weight (g/mol): 174.11 MDL Number: MFCD00149323 InChI Key: GLINCONFUZIMCN-UHFFFAOYSA-N Synonym: 3,5-pyrazoledicarboxylic acid,pyrazole-3,5-dicarboxylic acid,pyrazole-3,5-dicarboxylic acid monohydrate,3,5-pyrazol dicarboxylic acid,3,5-pyrazole dicarboxylic acid,zlchem 726,3,5-dicarboxypyrazole,acmc-20a0hc,ksc223c6j,3,5-pyrazole-dicarboxylic acid PubChem CID: 76559 SMILES: O.OC(=O)C1=CC(=NN1)C(O)=O

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Specifications

PubChem CID	76559
CAS	303180-11-2
Molecular Weight (g/mol)	174.11
MDL Number	MFCD00149323
SMILES	O.OC(=O)C1=CC(=NN1)C(O)=O
Synonym	3,5-pyrazoledicarboxylic acid,pyrazole-3,5-dicarboxylic acid,pyrazole-3,5-dicarboxylic acid monohydrate,3,5-pyrazol dicarboxylic acid,3,5-pyrazole dicarboxylic acid,zlchem 726,3,5-dicarboxypyrazole,acmc-20a0hc,ksc223c6j,3,5-pyrazole-dicarboxylic acid
InChI Key	GLINCONFUZIMCN-UHFFFAOYSA-N
Molecular Formula	C₅H₄N₂O₄·H₂O

122

Pyrazinamide, 99%

CAS: 98-96-4 Molecular Formula: C₅H₅N₃O Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006132 InChI Key: IPEHBUMCGVEMRF-UHFFFAOYSA-N Synonym: pyrazinamide,pyrazinecarboxamide,zinamide,pyrazinoic acid amide,2-pyrazinecarboxamide,aldinamide,aldinamid,pirazinamid,pyrazineamide,pyrafat PubChem CID: 1046 ChEBI: CHEBI:45285 IUPAC Name: pyrazine-2-carboxamide SMILES: C1=CN=C(C=N1)C(=O)N

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Specifications

PubChem CID	1046
CAS	98-96-4
Molecular Weight (g/mol)	123.11
ChEBI	CHEBI:45285
MDL Number	MFCD00006132
SMILES	C1=CN=C(C=N1)C(=O)N
Synonym	pyrazinamide,pyrazinecarboxamide,zinamide,pyrazinoic acid amide,2-pyrazinecarboxamide,aldinamide,aldinamid,pirazinamid,pyrazineamide,pyrafat
IUPAC Name	pyrazine-2-carboxamide
InChI Key	IPEHBUMCGVEMRF-UHFFFAOYSA-N
Molecular Formula	C₅H₅N₃O

123

2-Thiophenecarbonitrile, 97%

CAS: 1003-31-2 Molecular Formula: C₅H₃NS Molecular Weight (g/mol): 109.15 MDL Number: MFCD00005416 InChI Key: CUPOOAWTRIURFT-UHFFFAOYSA-N Synonym: 2-thiophenecarbonitrile,2-cyanothiophene,2-thiophene carbonitrile,2-thenylcyanide,thiophenecarbonitrile,2-thienonitrile,2-thenonitrile,2-thiophenenitrile,2-cyano-thiophene,2-thienylcarbonitrile PubChem CID: 66087 IUPAC Name: thiophene-2-carbonitrile SMILES: C1=CSC(=C1)C#N

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Specifications

PubChem CID	66087
CAS	1003-31-2
Molecular Weight (g/mol)	109.15
MDL Number	MFCD00005416
SMILES	C1=CSC(=C1)C#N
Synonym	2-thiophenecarbonitrile,2-cyanothiophene,2-thiophene carbonitrile,2-thenylcyanide,thiophenecarbonitrile,2-thienonitrile,2-thenonitrile,2-thiophenenitrile,2-cyano-thiophene,2-thienylcarbonitrile
IUPAC Name	thiophene-2-carbonitrile
InChI Key	CUPOOAWTRIURFT-UHFFFAOYSA-N
Molecular Formula	C₅H₃NS

124

4,6-Dimethyldibenzothiophene, 95%

CAS: 1207-12-1 Molecular Formula: C14H12S Molecular Weight (g/mol): 212.31 MDL Number: MFCD00216264 InChI Key: KMPJENUWHPZRGZ-UHFFFAOYSA-N Synonym: dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene PubChem CID: 1268103 IUPAC Name: 4,6-dimethyldibenzothiophene SMILES: CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1

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Specifications

PubChem CID	1268103
CAS	1207-12-1
Molecular Weight (g/mol)	212.31
MDL Number	MFCD00216264
SMILES	CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1
Synonym	dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene
IUPAC Name	4,6-dimethyldibenzothiophene
InChI Key	KMPJENUWHPZRGZ-UHFFFAOYSA-N
Molecular Formula	C14H12S

125

2-Ethylpyrrole, 98%, Thermo Scientific Chemicals

CAS: 1551-06-0 Molecular Formula: C6H9N Molecular Weight (g/mol): 95.15 MDL Number: MFCD00060477 InChI Key: XRPDDDRNQJNHLQ-UHFFFAOYSA-N PubChem CID: 137075 IUPAC Name: 2-ethyl-1H-pyrrole SMILES: CCC1=CC=CN1

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Specifications

PubChem CID	137075
CAS	1551-06-0
Molecular Weight (g/mol)	95.15
MDL Number	MFCD00060477
SMILES	CCC1=CC=CN1
IUPAC Name	2-ethyl-1H-pyrrole
InChI Key	XRPDDDRNQJNHLQ-UHFFFAOYSA-N
Molecular Formula	C6H9N

126

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

127

5,6,7,8-Tetrahydroquinoline, 98%

CAS: 10500-57-9 Molecular Formula: C₉H₁₁N Molecular Weight (g/mol): 133.19 InChI Key: YQDGQEKUTLYWJU-UHFFFAOYSA-N Synonym: 2,3-cyclohexeno pyridine,quinoline, 5,6,7,8-tetrahydro,unii-l786aag56h,5,6,7,8-tetra-hydroquinoline,5,6,7,8-tetrahydro-quinoline,pubchem5891,2,3-cyclohexenopyridine,g00034-watson-int,2,3-cyclohexano pyridine,acmc-2098eh PubChem CID: 66335 IUPAC Name: 5,6,7,8-tetrahydroquinoline SMILES: C1CCC2=C(C1)C=CC=N2

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Specifications

PubChem CID	66335
CAS	10500-57-9
Molecular Weight (g/mol)	133.19
SMILES	C1CCC2=C(C1)C=CC=N2
Synonym	2,3-cyclohexeno pyridine,quinoline, 5,6,7,8-tetrahydro,unii-l786aag56h,5,6,7,8-tetra-hydroquinoline,5,6,7,8-tetrahydro-quinoline,pubchem5891,2,3-cyclohexenopyridine,g00034-watson-int,2,3-cyclohexano pyridine,acmc-2098eh
IUPAC Name	5,6,7,8-tetrahydroquinoline
InChI Key	YQDGQEKUTLYWJU-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁N

128

3-Thiophenecarbonitrile, 94%, Thermo Scientific™

CAS: 1641-09-4 Molecular Formula: C₅H₃NS Molecular Weight (g/mol): 109.15 MDL Number: MFCD00151852 InChI Key: GSXCEVHRIVLFJV-UHFFFAOYSA-N Synonym: 3-cyanothiophene,3-thiophenecarbonitrile,thiophene-3-nitrile,pubchem5508,pubchem12351,acmc-209dqk,ksc176g4h PubChem CID: 74231 IUPAC Name: thiophene-3-carbonitrile SMILES: C1=CSC=C1C#N

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Specifications

PubChem CID	74231
CAS	1641-09-4
Molecular Weight (g/mol)	109.15
MDL Number	MFCD00151852
SMILES	C1=CSC=C1C#N
Synonym	3-cyanothiophene,3-thiophenecarbonitrile,thiophene-3-nitrile,pubchem5508,pubchem12351,acmc-209dqk,ksc176g4h
IUPAC Name	thiophene-3-carbonitrile
InChI Key	GSXCEVHRIVLFJV-UHFFFAOYSA-N
Molecular Formula	C₅H₃NS

129

5-Phenyltetrazole, 99%

CAS: 18039-42-4 Molecular Formula: C₇H₆N₄ Molecular Weight (g/mol): 146.15 MDL Number: MFCD00022388 InChI Key: MARUHZGHZWCEQU-UHFFFAOYSA-N Synonym: 5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van PubChem CID: 87425 IUPAC Name: 5-phenyl-2H-tetrazole SMILES: C1=CC=C(C=C1)C2=NNN=N2

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Specifications

PubChem CID	87425
CAS	18039-42-4
Molecular Weight (g/mol)	146.15
MDL Number	MFCD00022388
SMILES	C1=CC=C(C=C1)C2=NNN=N2
Synonym	5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van
IUPAC Name	5-phenyl-2H-tetrazole
InChI Key	MARUHZGHZWCEQU-UHFFFAOYSA-N
Molecular Formula	C₇H₆N₄

130

4-Methylimidazole, 98%

CAS: 822-36-6 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005201 InChI Key: XLSZMDLNRCVEIJ-UHFFFAOYSA-N Synonym: 4-methylimidazole,4-methyl-1h-imidazole,4 5-methylimidazole,1h-imidazole, 4-methyl,4-me-i,5-methylimidazole,imidazole, 4-methyl,4 or 5-methylimidazole,4-mei,4-methylimidazol PubChem CID: 13195 ChEBI: CHEBI:40035 IUPAC Name: 5-methyl-1H-imidazole SMILES: CC1=CN=CN1

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Specifications

PubChem CID	13195
CAS	822-36-6
Molecular Weight (g/mol)	82.11
ChEBI	CHEBI:40035
MDL Number	MFCD00005201
SMILES	CC1=CN=CN1
Synonym	4-methylimidazole,4-methyl-1h-imidazole,4 5-methylimidazole,1h-imidazole, 4-methyl,4-me-i,5-methylimidazole,imidazole, 4-methyl,4 or 5-methylimidazole,4-mei,4-methylimidazol
IUPAC Name	5-methyl-1H-imidazole
InChI Key	XLSZMDLNRCVEIJ-UHFFFAOYSA-N
Molecular Formula	C4H6N2

131

2-(3-Thienyl)ethanol, 97%

CAS: 13781-67-4 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00009766 InChI Key: YYPNNBPPDFTQFX-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415 PubChem CID: 83731 SMILES: OCCC1=CSC=C1

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Specifications

PubChem CID	83731
CAS	13781-67-4
Molecular Weight (g/mol)	128.19
MDL Number	MFCD00009766
SMILES	OCCC1=CSC=C1
Synonym	2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415
InChI Key	YYPNNBPPDFTQFX-UHFFFAOYSA-N
Molecular Formula	C6H8OS

132

3-Amino-4-phenyl-1H-pyrazole, 95%

CAS: 5591-70-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD01693715 InChI Key: QEHKQNYBBLCFIJ-UHFFFAOYSA-N Synonym: 4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl PubChem CID: 79703 IUPAC Name: 4-phenyl-1H-pyrazol-5-amine SMILES: C1=CC=C(C=C1)C2=C(NN=C2)N

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Specifications

PubChem CID	79703
CAS	5591-70-8
Molecular Weight (g/mol)	159.192
MDL Number	MFCD01693715
SMILES	C1=CC=C(C=C1)C2=C(NN=C2)N
Synonym	4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl
IUPAC Name	4-phenyl-1H-pyrazol-5-amine
InChI Key	QEHKQNYBBLCFIJ-UHFFFAOYSA-N
Molecular Formula	C9H9N3

133

1,6-Naphthyridine, 96%, Thermo Scientific™

CAS: 253-72-5 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 MDL Number: MFCD00059750 InChI Key: VSOSXKMEQPYESP-UHFFFAOYSA-N Synonym: 1,6-diazanaphthalene,1,6 naphthyridine,1,6-pyridopyridine,unii-s1t14p7ow7,pyridino 4,3-b pyridine,1,6naphthyridine,1,6-naphthyridine,pubchem18071,acmc-1chvm,pyrido 4,3-b pyridine PubChem CID: 67488 ChEBI: CHEBI:36627 IUPAC Name: 1,6-naphthyridine SMILES: C1=CN=C2C=CN=CC2=C1

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Specifications

PubChem CID	67488
CAS	253-72-5
Molecular Weight (g/mol)	130.15
ChEBI	CHEBI:36627
MDL Number	MFCD00059750
SMILES	C1=CN=C2C=CN=CC2=C1
Synonym	1,6-diazanaphthalene,1,6 naphthyridine,1,6-pyridopyridine,unii-s1t14p7ow7,pyridino 4,3-b pyridine,1,6naphthyridine,1,6-naphthyridine,pubchem18071,acmc-1chvm,pyrido 4,3-b pyridine
IUPAC Name	1,6-naphthyridine
InChI Key	VSOSXKMEQPYESP-UHFFFAOYSA-N
Molecular Formula	C8H6N2

134

Isothiazole, 97%, Thermo Scientific Chemicals

CAS: 288-16-4 Molecular Formula: C₃H₃NS Molecular Weight (g/mol): 85.13 InChI Key: ZLTPDFXIESTBQG-UHFFFAOYSA-N Synonym: isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone PubChem CID: 67515 ChEBI: CHEBI:35600 IUPAC Name: 1,2-thiazole SMILES: C1=CSN=C1

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Specifications

PubChem CID	67515
CAS	288-16-4
Molecular Weight (g/mol)	85.13
ChEBI	CHEBI:35600
SMILES	C1=CSN=C1
Synonym	isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone
IUPAC Name	1,2-thiazole
InChI Key	ZLTPDFXIESTBQG-UHFFFAOYSA-N
Molecular Formula	C₃H₃NS

135

2-Phenylthiazole, 98%

CAS: 1826-11-5 Molecular Formula: C₉H₇NS Molecular Weight (g/mol): 161.23 InChI Key: WYKHSBAVLOPISI-UHFFFAOYSA-N Synonym: 2-phenylthiazole,thiazole, 2-phenyl,phenylthiazole,2-phenyl thiazole,#,ksc174s8f,tpc-i164 PubChem CID: 547494 IUPAC Name: 2-phenyl-1,3-thiazole SMILES: C1=CC=C(C=C1)C2=NC=CS2

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Specifications

PubChem CID	547494
CAS	1826-11-5
Molecular Weight (g/mol)	161.23
SMILES	C1=CC=C(C=C1)C2=NC=CS2
Synonym	2-phenylthiazole,thiazole, 2-phenyl,phenylthiazole,2-phenyl thiazole,#,ksc174s8f,tpc-i164
IUPAC Name	2-phenyl-1,3-thiazole
InChI Key	WYKHSBAVLOPISI-UHFFFAOYSA-N
Molecular Formula	C₉H₇NS

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