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

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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

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4-(2-Thienyl)butyric acid, 98%

CAS: 4653-11-6 MDL Number: MFCD00005463

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CAS	4653-11-6
MDL Number	MFCD00005463

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Indole-2-carbonitrile, 97%

CAS: 36193-65-4 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00187566 InChI Key: CBTITARLOCZPDU-UHFFFAOYSA-N Synonym: 2-cyanoindole,cyanoindole,2-indolecarbonitrile,2-cyano-1h-indole,indole-2-carbonitrile,racemic indole nitrile PubChem CID: 3787599 IUPAC Name: 1H-indole-2-carbonitrile SMILES: N#CC1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	3787599
CAS	36193-65-4
Molecular Weight (g/mol)	142.16
MDL Number	MFCD00187566
SMILES	N#CC1=CC2=CC=CC=C2N1
Synonym	2-cyanoindole,cyanoindole,2-indolecarbonitrile,2-cyano-1h-indole,indole-2-carbonitrile,racemic indole nitrile
IUPAC Name	1H-indole-2-carbonitrile
InChI Key	CBTITARLOCZPDU-UHFFFAOYSA-N
Molecular Formula	C9H6N2

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2,3-Dimethylquinoxaline, 97%

CAS: 2379-55-7 MDL Number: MFCD00006728 InChI Key: FKHNZQFCDGOQGV-UHFFFAOYSA-N PubChem CID: 16925 IUPAC Name: 2,3-dimethylquinoxaline SMILES: CC1=NC2=CC=CC=C2N=C1C

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PubChem CID	16925
CAS	2379-55-7
MDL Number	MFCD00006728
SMILES	CC1=NC2=CC=CC=C2N=C1C
IUPAC Name	2,3-dimethylquinoxaline
InChI Key	FKHNZQFCDGOQGV-UHFFFAOYSA-N

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5-Azabenzimidazole, 98%, Thermo Scientific Chemicals

CAS: 272-97-9 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00051808 InChI Key: UBOOKRVGOBKDMM-UHFFFAOYSA-N Synonym: 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole PubChem CID: 9227 IUPAC Name: 3H-imidazo[4,5-c]pyridine SMILES: N1C=NC2=CC=NC=C12

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PubChem CID	9227
CAS	272-97-9
Molecular Weight (g/mol)	119.13
MDL Number	MFCD00051808
SMILES	N1C=NC2=CC=NC=C12
Synonym	3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole
IUPAC Name	3H-imidazo[4,5-c]pyridine
InChI Key	UBOOKRVGOBKDMM-UHFFFAOYSA-N
Molecular Formula	C6H5N3

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2-Pyridinesulfonylacetonitrile, 98%

CAS: 170449-34-0 Molecular Formula: C7H6N2O2S Molecular Weight (g/mol): 182.197 MDL Number: MFCD00041443 InChI Key: SAKACXZDAJXBCI-UHFFFAOYSA-N Synonym: 2-pyridinesulfonylacetonitrile,2-pyridinesulphonylacetonitrile,2-pyridin-2-ylsulfonyl acetonitrile,pyridine-2-sulfonylacetonitrile,2-pyridine-2-sulfonyl acetonitrile,pyridin-2-ylsulfonyl acetonitrile,2-2-pyridylsulfonyl ethanenitrile,maybridge1_004727,acmc-1c3jt,2-pyridinesulfonlyacetonitrile PubChem CID: 519355 IUPAC Name: 2-pyridin-2-ylsulfonylacetonitrile SMILES: C1=CC=NC(=C1)S(=O)(=O)CC#N

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PubChem CID	519355
CAS	170449-34-0
Molecular Weight (g/mol)	182.197
MDL Number	MFCD00041443
SMILES	C1=CC=NC(=C1)S(=O)(=O)CC#N
Synonym	2-pyridinesulfonylacetonitrile,2-pyridinesulphonylacetonitrile,2-pyridin-2-ylsulfonyl acetonitrile,pyridine-2-sulfonylacetonitrile,2-pyridine-2-sulfonyl acetonitrile,pyridin-2-ylsulfonyl acetonitrile,2-2-pyridylsulfonyl ethanenitrile,maybridge1_004727,acmc-1c3jt,2-pyridinesulfonlyacetonitrile
IUPAC Name	2-pyridin-2-ylsulfonylacetonitrile
InChI Key	SAKACXZDAJXBCI-UHFFFAOYSA-N
Molecular Formula	C7H6N2O2S

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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

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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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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

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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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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

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Thiophene, 99.5%, extra pure, benzene free

CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1

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PubChem CID	8030
CAS	110-02-1
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:30856
MDL Number	MFCD00005413
SMILES	S1C=CC=C1
Synonym	thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio
IUPAC Name	thiophene
InChI Key	YTPLMLYBLZKORZ-UHFFFAOYSA-N
Molecular Formula	C4H4S

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2,4,6-Triphenyl-s-triazine, 98+%

CAS: 493-77-6 Molecular Formula: C21H15N3 Molecular Weight (g/mol): 309.37 MDL Number: MFCD00006051 InChI Key: HBQUOLGAXBYZGR-UHFFFAOYSA-N Synonym: cyaphenine,triphenyl-s-triazine,1,3,5-triazine, 2,4,6-triphenyl,2,4,6-triphenyl-s-triazine,kyaphenine,s-triphenyltriazine,2,4,6-triphenyltriazine,triphenyl-1,3,5-triazine,s-triazine, 2,4,6-triphenyl-8ci,s-triazine, 2,4,6-triphenyl PubChem CID: 10305 IUPAC Name: 2,4,6-triphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	10305
CAS	493-77-6
Molecular Weight (g/mol)	309.37
MDL Number	MFCD00006051
SMILES	C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	cyaphenine,triphenyl-s-triazine,1,3,5-triazine, 2,4,6-triphenyl,2,4,6-triphenyl-s-triazine,kyaphenine,s-triphenyltriazine,2,4,6-triphenyltriazine,triphenyl-1,3,5-triazine,s-triazine, 2,4,6-triphenyl-8ci,s-triazine, 2,4,6-triphenyl
IUPAC Name	2,4,6-triphenyl-1,3,5-triazine
InChI Key	HBQUOLGAXBYZGR-UHFFFAOYSA-N
Molecular Formula	C21H15N3

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Pyrazinecarbonitrile, 99%

CAS: 19847-12-2 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00049361 InChI Key: PMSVVUSIPKHUMT-UHFFFAOYSA-N Synonym: pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine PubChem CID: 73172 ChEBI: CHEBI:3982 IUPAC Name: pyrazine-2-carbonitrile SMILES: N#CC1=CN=CC=N1

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PubChem CID	73172
CAS	19847-12-2
Molecular Weight (g/mol)	105.10
ChEBI	CHEBI:3982
MDL Number	MFCD00049361
SMILES	N#CC1=CN=CC=N1
Synonym	pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine
IUPAC Name	pyrazine-2-carbonitrile
InChI Key	PMSVVUSIPKHUMT-UHFFFAOYSA-N
Molecular Formula	C5H3N3

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Thiophene-2-carbonitrile, 98%

CAS: 1003-31-2 Molecular Formula: C5H3NS Molecular Weight (g/mol): 109.146 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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PubChem CID	66087
CAS	1003-31-2
Molecular Weight (g/mol)	109.146
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

Heteroaromatic compounds

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