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

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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Specifications

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

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

4-Methyl-5-(2-pyrazinyl)-1,2-dithiole-3-thione

CAS: 64224-21-1 Molecular Formula: C8H6N2S3 Molecular Weight (g/mol): 226.33 MDL Number: MFCD00868499 InChI Key: CKNAQFVBEHDJQV-UHFFFAOYSA-N Synonym: oltipraz,oltiprazum,4-methyl-5-pyrazin-2-yl-3h-1,2-dithiole-3-thione,ccris 4048,oltipraz inn,4-methyl-5-pyrazinyl-3h-1,2-dithiole-3-thione,oltiprazum inn-latin,unii-6n510jul1y,5-2-pyrazinyl-4-methyl-1,2-dithiole-3-thione,3h-1,2-dithiole-3-thione, 4-methyl-5-pyrazinyl PubChem CID: 47318 ChEBI: CHEBI:77319 IUPAC Name: 4-methyl-5-pyrazin-2-yldithiole-3-thione SMILES: CC1=C(SSC1=S)C1=CN=CC=N1

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Specifications

PubChem CID	47318
CAS	64224-21-1
Molecular Weight (g/mol)	226.33
ChEBI	CHEBI:77319
MDL Number	MFCD00868499
SMILES	CC1=C(SSC1=S)C1=CN=CC=N1
Synonym	oltipraz,oltiprazum,4-methyl-5-pyrazin-2-yl-3h-1,2-dithiole-3-thione,ccris 4048,oltipraz inn,4-methyl-5-pyrazinyl-3h-1,2-dithiole-3-thione,oltiprazum inn-latin,unii-6n510jul1y,5-2-pyrazinyl-4-methyl-1,2-dithiole-3-thione,3h-1,2-dithiole-3-thione, 4-methyl-5-pyrazinyl
IUPAC Name	4-methyl-5-pyrazin-2-yldithiole-3-thione
InChI Key	CKNAQFVBEHDJQV-UHFFFAOYSA-N
Molecular Formula	C8H6N2S3

Tetrazole, 3 to 4 wt.% solution in acetonitrile, AcroSeal™

CAS: 288-94-8 | CH₂N₄ | 70.05 g/mol

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Specifications

Boiling Point	77°C
Molecular Weight (g/mol)	70.05
ChEBI	CHEBI:33193
Color	Cream to Orange
Physical Form	Crystalline Powder
Chemical Name or Material	Tetrazole
SMILES	C1=NNN=N1
InChI Key	KJUGUADJHNHALS-UHFFFAOYSA-N
Density	0.8000g/mL
PubChem CID	67519
CAS	75-05-8
Health Hazard 3	GHS P Statement IF ON SKIN: Wash with plenty of soap and water. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Wea
Health Hazard 2	GHS H Statement Highly flammable liquid and vapour. Causes serious eye irritation. Harmful if swallowed. Harmful if inhaled. Harmful in contact with skin.
Packaging	AcroSeal™ Glass Bottle
Flash Point	5°C
Health Hazard 1	GHS Signal Word: Danger
IUPAC Name	2H-tetrazole
Molecular Formula	CH₂N₄
EINECS Number	206-023-4
Formula Weight	70.05
Specific Gravity	0.8

7-Ethylindole, 98+%

CAS: 22867-74-9 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 MDL Number: MFCD00143514 InChI Key: PIIZLMYXLGYWTN-UHFFFAOYSA-N Synonym: 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc PubChem CID: 2724711 IUPAC Name: 7-ethyl-1H-indole SMILES: CCC1=C2NC=CC2=CC=C1

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Specifications

PubChem CID	2724711
CAS	22867-74-9
Molecular Weight (g/mol)	145.21
MDL Number	MFCD00143514
SMILES	CCC1=C2NC=CC2=CC=C1
Synonym	7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc
IUPAC Name	7-ethyl-1H-indole
InChI Key	PIIZLMYXLGYWTN-UHFFFAOYSA-N
Molecular Formula	C10H11N

Benzo[b]thiophene, 98+%

CAS: 95-15-8 Molecular Formula: C8H6S Molecular Weight (g/mol): 134.196 MDL Number: MFCD00005864 InChI Key: FCEHBMOGCRZNNI-UHFFFAOYSA-N Synonym: benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen PubChem CID: 7221 ChEBI: CHEBI:35858 IUPAC Name: 1-benzothiophene SMILES: C1=CC=C2C(=C1)C=CS2

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Specifications

PubChem CID	7221
CAS	95-15-8
Molecular Weight (g/mol)	134.196
ChEBI	CHEBI:35858
MDL Number	MFCD00005864
SMILES	C1=CC=C2C(=C1)C=CS2
Synonym	benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen
IUPAC Name	1-benzothiophene
InChI Key	FCEHBMOGCRZNNI-UHFFFAOYSA-N
Molecular Formula	C8H6S

8-Methylquinoline, 97+%

CAS: 611-32-5 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006810 InChI Key: JRLTTZUODKEYDH-UHFFFAOYSA-N Synonym: quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888 PubChem CID: 11910 ChEBI: CHEBI:48984 IUPAC Name: 8-methylquinoline SMILES: CC1=C2N=CC=CC2=CC=C1

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Specifications

PubChem CID	11910
CAS	611-32-5
Molecular Weight (g/mol)	143.19
ChEBI	CHEBI:48984
MDL Number	MFCD00006810
SMILES	CC1=C2N=CC=CC2=CC=C1
Synonym	quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888
IUPAC Name	8-methylquinoline
InChI Key	JRLTTZUODKEYDH-UHFFFAOYSA-N
Molecular Formula	C10H9N

6-Methylquinoline, 98%

CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1

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Specifications

PubChem CID	7059
CAS	91-62-3
Molecular Weight (g/mol)	143.19
MDL Number	MFCD00006804
SMILES	CC1=CC=C2N=CC=CC2=C1
Synonym	quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887
IUPAC Name	6-methylquinoline
InChI Key	LUYISICIYVKBTA-UHFFFAOYSA-N
Molecular Formula	C10H9N

2-Amino-5-cyclopropyl-1,3,4-thiadiazole, 98%

CAS: 57235-50-4 Molecular Formula: C5H7N3S Molecular Weight (g/mol): 141.19 MDL Number: MFCD00051649 InChI Key: AVLUMBXGKFNNAS-UHFFFAOYSA-N Synonym: 2-amino-5-cyclopropyl-1,3,4-thiadiazole,5-cyclopropyl 1,3,4 thiadiazol-2-ylamine,5-cyclopropyl-1,3,4-thiadiazole-2-ylamine,acmc-20ao4n,enamine_005503,5-cyclopropyl-2-amino-1,3,4-thiadiazole,1,3,4-thiadiazol-2-amine,5-cyclopropyl,5-cyclopropyl-1,3,4 thiadiazol-2-ylamine PubChem CID: 717021 IUPAC Name: 5-cyclopropyl-1,3,4-thiadiazol-2-amine SMILES: NC1=NN=C(S1)C1CC1

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Specifications

PubChem CID	717021
CAS	57235-50-4
Molecular Weight (g/mol)	141.19
MDL Number	MFCD00051649
SMILES	NC1=NN=C(S1)C1CC1
Synonym	2-amino-5-cyclopropyl-1,3,4-thiadiazole,5-cyclopropyl 1,3,4 thiadiazol-2-ylamine,5-cyclopropyl-1,3,4-thiadiazole-2-ylamine,acmc-20ao4n,enamine_005503,5-cyclopropyl-2-amino-1,3,4-thiadiazole,1,3,4-thiadiazol-2-amine,5-cyclopropyl,5-cyclopropyl-1,3,4 thiadiazol-2-ylamine
IUPAC Name	5-cyclopropyl-1,3,4-thiadiazol-2-amine
InChI Key	AVLUMBXGKFNNAS-UHFFFAOYSA-N
Molecular Formula	C5H7N3S

2-Methylimidazo[4,5-c]pyridine, 96%

CAS: 63604-59-1 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD03426025 InChI Key: JWQVOMJORQXNME-UHFFFAOYSA-N Synonym: 2-methyl-3h-imidazo 4,5-c pyridine,2-methyl-1h-imidazo 4,5-c pyridine,2-methylimidazo 4,5-c pyridine,8-methyl-3-deazapurine,8-methyl-3,7,9-triazabicyclo 4.3.0 nona-2,4,7,10-tetraene,acmc-20anq0,2-methyl-5-azabenzimidazole,3h-imidazo 4,5-c pyridine, 2-methyl,1h-imidazo 4,5-c pyridine, 2-methyl PubChem CID: 373077 IUPAC Name: 2-methyl-3H-imidazo[4,5-c]pyridine SMILES: CC1=NC2=C(N1)C=NC=C2

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Specifications

PubChem CID	373077
CAS	63604-59-1
Molecular Weight (g/mol)	133.154
MDL Number	MFCD03426025
SMILES	CC1=NC2=C(N1)C=NC=C2
Synonym	2-methyl-3h-imidazo 4,5-c pyridine,2-methyl-1h-imidazo 4,5-c pyridine,2-methylimidazo 4,5-c pyridine,8-methyl-3-deazapurine,8-methyl-3,7,9-triazabicyclo 4.3.0 nona-2,4,7,10-tetraene,acmc-20anq0,2-methyl-5-azabenzimidazole,3h-imidazo 4,5-c pyridine, 2-methyl,1h-imidazo 4,5-c pyridine, 2-methyl
IUPAC Name	2-methyl-3H-imidazo[4,5-c]pyridine
InChI Key	JWQVOMJORQXNME-UHFFFAOYSA-N
Molecular Formula	C7H7N3

5-(2-Methylphenyl)-1H-tetrazole, 99%

CAS: 51449-86-6 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 MDL Number: MFCD03093095 InChI Key: MTBUOESFHRORQT-UHFFFAOYSA-N Synonym: 5-2-methylphenyl-1h-tetrazole,5-o-tolyl-1h-tetrazole,5-o-tolyl-2h-tetrazole,5-2-methylphenyl-2h-tetrazole,5-2-methylphenyl tetrazole,5-2-methylphenyl-2h-1,2,3,4-tetrazole,2h-tetrazole,5-2-methylphenyl,5-2-methylphenyl-1h-1,2,3,4-tetrazole,2-methylphenyltetrazole,5-o-tolyl tetrazole PubChem CID: 583067 IUPAC Name: 5-(2-methylphenyl)-2H-tetrazole SMILES: CC1=CC=CC=C1C2=NNN=N2

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Specifications

PubChem CID	583067
CAS	51449-86-6
Molecular Weight (g/mol)	160.18
MDL Number	MFCD03093095
SMILES	CC1=CC=CC=C1C2=NNN=N2
Synonym	5-2-methylphenyl-1h-tetrazole,5-o-tolyl-1h-tetrazole,5-o-tolyl-2h-tetrazole,5-2-methylphenyl-2h-tetrazole,5-2-methylphenyl tetrazole,5-2-methylphenyl-2h-1,2,3,4-tetrazole,2h-tetrazole,5-2-methylphenyl,5-2-methylphenyl-1h-1,2,3,4-tetrazole,2-methylphenyltetrazole,5-o-tolyl tetrazole
IUPAC Name	5-(2-methylphenyl)-2H-tetrazole
InChI Key	MTBUOESFHRORQT-UHFFFAOYSA-N
Molecular Formula	C8H8N4

5-(3-Methylphenyl)-1H-tetrazole, 99%

CAS: 3441-00-7 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 MDL Number: MFCD03093096 InChI Key: GWZNHKMUSLKULV-UHFFFAOYSA-N Synonym: 5-3-methylphenyl-1h-tetrazole,5-m-tolyl-1h-tetrazole,5-3-methylphenyl tetrazole,2h-tetrazole,5-3-methylphenyl,5-3-methylphenyl-1h-1,2,3,4-tetrazole,3-tolyl tetrazole,5-m-tolyl tetrazole,acmc-1cmun,5-m-tolyl 1h tetrazole PubChem CID: 583308 IUPAC Name: 5-(3-methylphenyl)-2H-tetrazole SMILES: CC1=CC=CC(=C1)C2=NNN=N2

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Specifications

PubChem CID	583308
CAS	3441-00-7
Molecular Weight (g/mol)	160.18
MDL Number	MFCD03093096
SMILES	CC1=CC=CC(=C1)C2=NNN=N2
Synonym	5-3-methylphenyl-1h-tetrazole,5-m-tolyl-1h-tetrazole,5-3-methylphenyl tetrazole,2h-tetrazole,5-3-methylphenyl,5-3-methylphenyl-1h-1,2,3,4-tetrazole,3-tolyl tetrazole,5-m-tolyl tetrazole,acmc-1cmun,5-m-tolyl 1h tetrazole
IUPAC Name	5-(3-methylphenyl)-2H-tetrazole
InChI Key	GWZNHKMUSLKULV-UHFFFAOYSA-N
Molecular Formula	C8H8N4

5-Methylindole, 99%

CAS: 614-96-0 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005680 InChI Key: YPKBCLZFIYBSHK-UHFFFAOYSA-N Synonym: 5-methylindole,1h-indole, 5-methyl,5-methylindol,indole, 5-methyl,5-methyl indole,unii-kt52363ri5,5-methyl-indole,indole, 2,pubchem7238 PubChem CID: 11978 IUPAC Name: 5-methyl-1H-indole SMILES: CC1=CC2=C(C=C1)NC=C2

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Specifications

PubChem CID	11978
CAS	614-96-0
Molecular Weight (g/mol)	131.178
MDL Number	MFCD00005680
SMILES	CC1=CC2=C(C=C1)NC=C2
Synonym	5-methylindole,1h-indole, 5-methyl,5-methylindol,indole, 5-methyl,5-methyl indole,unii-kt52363ri5,5-methyl-indole,indole, 2,pubchem7238
IUPAC Name	5-methyl-1H-indole
InChI Key	YPKBCLZFIYBSHK-UHFFFAOYSA-N
Molecular Formula	C9H9N

2,3-Dimethylpyrazine, 99%

CAS: 5910-89-4 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006144 InChI Key: OXQOBQJCDNLAPO-UHFFFAOYSA-N Synonym: pyrazine, 2,3-dimethyl,2,3-dimethyl-1,4-diazine,2,3-dimethyl-pyrazine,pyrazine, dimethyl,2,3-dimethyl pyrazine,ccris 2928,unii-whf7883d0v,fema no. 3271,natural,dimethylpyrazine PubChem CID: 22201 IUPAC Name: 2,3-dimethylpyrazine SMILES: CC1=NC=CN=C1C

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Specifications

PubChem CID	22201
CAS	5910-89-4
Molecular Weight (g/mol)	108.14
MDL Number	MFCD00006144
SMILES	CC1=NC=CN=C1C
Synonym	pyrazine, 2,3-dimethyl,2,3-dimethyl-1,4-diazine,2,3-dimethyl-pyrazine,pyrazine, dimethyl,2,3-dimethyl pyrazine,ccris 2928,unii-whf7883d0v,fema no. 3271,natural,dimethylpyrazine
IUPAC Name	2,3-dimethylpyrazine
InChI Key	OXQOBQJCDNLAPO-UHFFFAOYSA-N
Molecular Formula	C6H8N2

Heteroaromatic compounds

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