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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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

5-Cyanoindole, 99%

CAS: 15861-24-2 Molecular Formula: C₉H₆N₂ Molecular Weight (g/mol): 142.16 MDL Number: MFCD00005669 InChI Key: YHYLDEVWYOFIJK-UHFFFAOYSA-N Synonym: 5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326 PubChem CID: 27513 IUPAC Name: 1H-indole-5-carbonitrile SMILES: C1=CC2=C(C=CN2)C=C1C#N

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PubChem CID	27513
CAS	15861-24-2
Molecular Weight (g/mol)	142.16
MDL Number	MFCD00005669
SMILES	C1=CC2=C(C=CN2)C=C1C#N
Synonym	5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326
IUPAC Name	1H-indole-5-carbonitrile
InChI Key	YHYLDEVWYOFIJK-UHFFFAOYSA-N
Molecular Formula	C₉H₆N₂

4-Benzylpyridine, 97%, Thermo Scientific™

CAS: 2116-65-6 Molecular Formula: C12H11N Molecular Weight (g/mol): 169.23 MDL Number: MFCD00006443 InChI Key: DBOLXXRVIFGDTI-UHFFFAOYSA-N Synonym: pyridine, 4-phenylmethyl,pyridine, 4-benzyl,4-benzyl-pyridine,gamma-benzylpyridine,.gamma.-benzylpyridine,4-phenylmethyl pyridine,unii-1p29gqm0oh,1p29gqm0oh,4-benzyl pyridine,4-benzylpyridine PubChem CID: 16458 IUPAC Name: 4-benzylpyridine SMILES: C(C1=CC=CC=C1)C1=CC=NC=C1

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PubChem CID	16458
CAS	2116-65-6
Molecular Weight (g/mol)	169.23
MDL Number	MFCD00006443
SMILES	C(C1=CC=CC=C1)C1=CC=NC=C1
Synonym	pyridine, 4-phenylmethyl,pyridine, 4-benzyl,4-benzyl-pyridine,gamma-benzylpyridine,.gamma.-benzylpyridine,4-phenylmethyl pyridine,unii-1p29gqm0oh,1p29gqm0oh,4-benzyl pyridine,4-benzylpyridine
IUPAC Name	4-benzylpyridine
InChI Key	DBOLXXRVIFGDTI-UHFFFAOYSA-N
Molecular Formula	C12H11N

3-Ethynylthiophene, 96%

CAS: 67237-53-0 Molecular Formula: C₆H₄S Molecular Weight (g/mol): 108.16 InChI Key: MJHLPKWONJUCFK-UHFFFAOYSA-N Synonym: 3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b PubChem CID: 3548422 IUPAC Name: 3-ethynylthiophene SMILES: C#CC1=CSC=C1

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Specifications

PubChem CID	3548422
CAS	67237-53-0
Molecular Weight (g/mol)	108.16
SMILES	C#CC1=CSC=C1
Synonym	3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b
IUPAC Name	3-ethynylthiophene
InChI Key	MJHLPKWONJUCFK-UHFFFAOYSA-N
Molecular Formula	C₆H₄S

5-Azaindole, 98%

CAS: 271-34-1 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00955936 InChI Key: SRSKXJVMVSSSHB-UHFFFAOYSA-N Synonym: 5-azaindole,1h-pyrrolo 3,2-c pyridine,1,5-diazaindene,3,7-dideazapurine,5-azindole,5h-pyrrolo 3,2-c pyridine,pyrrolo 3,2-c pyridine,5-aza indole,5-aza-indole PubChem CID: 9220 IUPAC Name: 1H-pyrrolo[3,2-c]pyridine SMILES: C1=CNC2=C1C=NC=C2

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PubChem CID	9220
CAS	271-34-1
Molecular Weight (g/mol)	118.139
MDL Number	MFCD00955936
SMILES	C1=CNC2=C1C=NC=C2
Synonym	5-azaindole,1h-pyrrolo 3,2-c pyridine,1,5-diazaindene,3,7-dideazapurine,5-azindole,5h-pyrrolo 3,2-c pyridine,pyrrolo 3,2-c pyridine,5-aza indole,5-aza-indole
IUPAC Name	1H-pyrrolo[3,2-c]pyridine
InChI Key	SRSKXJVMVSSSHB-UHFFFAOYSA-N
Molecular Formula	C7H6N2

4-Ethylpyridine, 98%

CAS: 536-75-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006450 InChI Key: VJXRKZJMGVSXPX-UHFFFAOYSA-N Synonym: pyridine, 4-ethyl,.gamma.-ethylpyridine,4-ethyl pyridine,unii-3kw0se2tl5,4-ethyl-pyridine,pyridine, c1-3-alkyl derivs.,3kw0se2tl5,gamma-ethylpyridine,c1-c3 alkylpyridine,4ethylpyridine PubChem CID: 10822 IUPAC Name: 4-ethylpyridine SMILES: CCC1=CC=NC=C1

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Specifications

PubChem CID	10822
CAS	536-75-4
Molecular Weight (g/mol)	107.156
MDL Number	MFCD00006450
SMILES	CCC1=CC=NC=C1
Synonym	pyridine, 4-ethyl,.gamma.-ethylpyridine,4-ethyl pyridine,unii-3kw0se2tl5,4-ethyl-pyridine,pyridine, c1-3-alkyl derivs.,3kw0se2tl5,gamma-ethylpyridine,c1-c3 alkylpyridine,4ethylpyridine
IUPAC Name	4-ethylpyridine
InChI Key	VJXRKZJMGVSXPX-UHFFFAOYSA-N
Molecular Formula	C7H9N

Dibenzothiophene, 98%

CAS: 132-65-0 Molecular Formula: C₁₂H₈S Molecular Weight (g/mol): 184.26 MDL Number: MFCD00004969 InChI Key: IYYZUPMFVPLQIF-UHFFFAOYSA-N Synonym: diphenylene sulfide,dibenzo b,d thiophene,9-thiafluorene,alpha-thiafluorene,2,2'-biphenylylene sulfide,usan,unii-z3d4aj1r48,1,1'-biphenyl-2,2'-diyl sulfide,.alpha.-thiafluorene PubChem CID: 3023 ChEBI: CHEBI:23681 IUPAC Name: dibenzothiophene SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2

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Specifications

PubChem CID	3023
CAS	132-65-0
Molecular Weight (g/mol)	184.26
ChEBI	CHEBI:23681
MDL Number	MFCD00004969
SMILES	C1=CC=C2C(=C1)C3=CC=CC=C3S2
Synonym	diphenylene sulfide,dibenzo b,d thiophene,9-thiafluorene,alpha-thiafluorene,2,2'-biphenylylene sulfide,usan,unii-z3d4aj1r48,1,1'-biphenyl-2,2'-diyl sulfide,.alpha.-thiafluorene
IUPAC Name	dibenzothiophene
InChI Key	IYYZUPMFVPLQIF-UHFFFAOYSA-N
Molecular Formula	C₁₂H₈S

4-Methylindole, 99%

CAS: 16096-32-5 Molecular Formula: C₉H₉N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005668 InChI Key: PZOUSPYUWWUPPK-UHFFFAOYSA-N Synonym: 4-methylindole,4-methyindole,1h-indole, 4-methyl,indole, 4-methyl,4-methyl indole,4-methyl-indole,pubchem7233,acmc-1bpu3,ksc179o0l PubChem CID: 85282 IUPAC Name: 4-methyl-1H-indole SMILES: CC1=C2C=CNC2=CC=C1

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Specifications

PubChem CID	85282
CAS	16096-32-5
Molecular Weight (g/mol)	131.18
MDL Number	MFCD00005668
SMILES	CC1=C2C=CNC2=CC=C1
Synonym	4-methylindole,4-methyindole,1h-indole, 4-methyl,indole, 4-methyl,4-methyl indole,4-methyl-indole,pubchem7233,acmc-1bpu3,ksc179o0l
IUPAC Name	4-methyl-1H-indole
InChI Key	PZOUSPYUWWUPPK-UHFFFAOYSA-N
Molecular Formula	C₉H₉N

Phenazine, 99+%

CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00005023 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2

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Specifications

PubChem CID	4757
CAS	92-82-0
Molecular Weight (g/mol)	180.21
ChEBI	CHEBI:36674
MDL Number	MFCD00005023
SMILES	C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
Synonym	dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs
IUPAC Name	phenazine
InChI Key	PCNDJXKNXGMECE-UHFFFAOYSA-N
Molecular Formula	C12H8N2

2-Thiophenemethanol, 97%

CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 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: OCC1=CC=CS1

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Specifications

PubChem CID	69467
CAS	636-72-6
Molecular Weight (g/mol)	114.16
MDL Number	MFCD00005454
SMILES	OCC1=CC=CS1
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
IUPAC Name	thiophen-2-ylmethanol
InChI Key	ZPHGMBGIFODUMF-UHFFFAOYSA-N
Molecular Formula	C5H6OS

3-Methylbenzo[b]thiophene, 98%

CAS: 1455-18-1 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00040243 InChI Key: SEBRPHZZSLCDRQ-UHFFFAOYSA-N Synonym: 3-methylbenzo b thiophene,3-methylbenzothiophene,3-methylthianaphthene,benzo b thiophene, 3-methyl,3-methylthioindene,benzothiophene, 3-methyl,3-methyl-1-thiaindene,3-methylbenzylthiophene,3-methyl-benzo b thiophene PubChem CID: 73817 IUPAC Name: 3-methyl-1-benzothiophene SMILES: CC1=CSC2=CC=CC=C12

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PubChem CID	73817
CAS	1455-18-1
Molecular Weight (g/mol)	148.22
MDL Number	MFCD00040243
SMILES	CC1=CSC2=CC=CC=C12
Synonym	3-methylbenzo b thiophene,3-methylbenzothiophene,3-methylthianaphthene,benzo b thiophene, 3-methyl,3-methylthioindene,benzothiophene, 3-methyl,3-methyl-1-thiaindene,3-methylbenzylthiophene,3-methyl-benzo b thiophene
IUPAC Name	3-methyl-1-benzothiophene
InChI Key	SEBRPHZZSLCDRQ-UHFFFAOYSA-N
Molecular Formula	C9H8S

4-Cyanoindole, 99%

CAS: 16136-52-0 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.161 MDL Number: MFCD00152045 InChI Key: CEUFGDDOMXCXFW-UHFFFAOYSA-N Synonym: 4-cyanoindole,4-indolecarbonitrile,indole-4-carbonitrile,indole-4-cyano,4-cyano-1h-indole,4-cyano indole,pubchem7327,acmc-209dmi,1h-indol-4-yl cyanide PubChem CID: 3817602 IUPAC Name: 1H-indole-4-carbonitrile SMILES: C1=CC(=C2C=CNC2=C1)C#N

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Specifications

PubChem CID	3817602
CAS	16136-52-0
Molecular Weight (g/mol)	142.161
MDL Number	MFCD00152045
SMILES	C1=CC(=C2C=CNC2=C1)C#N
Synonym	4-cyanoindole,4-indolecarbonitrile,indole-4-carbonitrile,indole-4-cyano,4-cyano-1h-indole,4-cyano indole,pubchem7327,acmc-209dmi,1h-indol-4-yl cyanide
IUPAC Name	1H-indole-4-carbonitrile
InChI Key	CEUFGDDOMXCXFW-UHFFFAOYSA-N
Molecular Formula	C9H6N2

5-Methylbenzimidazole, 98%

CAS: 614-97-1 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.166 MDL Number: MFCD00010740 InChI Key: RWXZXCZBMQPOBF-UHFFFAOYSA-N Synonym: 5-methylbenzimidazole,5-methyl-1h-benzo d imidazole,1h-benzimidazole, 5-methyl,5-methyl-1h-benzimidazole,benzimidazole, 5-methyl,ethyl 4-cyanophenylalaninate,1h-benzimidazole, 6-methyl,5-methyl-1h-1,3-benzodiazole,6-methyl-1h-1,3-benzodiazole,5mb PubChem CID: 11979 ChEBI: CHEBI:40205 IUPAC Name: 6-methyl-1H-benzimidazole SMILES: CC1=CC2=C(C=C1)N=CN2

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Specifications

PubChem CID	11979
CAS	614-97-1
Molecular Weight (g/mol)	132.166
ChEBI	CHEBI:40205
MDL Number	MFCD00010740
SMILES	CC1=CC2=C(C=C1)N=CN2
Synonym	5-methylbenzimidazole,5-methyl-1h-benzo d imidazole,1h-benzimidazole, 5-methyl,5-methyl-1h-benzimidazole,benzimidazole, 5-methyl,ethyl 4-cyanophenylalaninate,1h-benzimidazole, 6-methyl,5-methyl-1h-1,3-benzodiazole,6-methyl-1h-1,3-benzodiazole,5mb
IUPAC Name	6-methyl-1H-benzimidazole
InChI Key	RWXZXCZBMQPOBF-UHFFFAOYSA-N
Molecular Formula	C8H8N2

Heteroaromatic compounds

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