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

4-Methylpyrimidine, 98%

CAS: 3438-46-8 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.117 MDL Number: MFCD00006115 InChI Key: LVILGAOSPDLNRM-UHFFFAOYSA-N Synonym: pyrimidine, 4-methyl,4-methyl-pyrimidine,4-methyl pyrimidine,pubchem20803,6-methylpyrimidine,4-methylpyrimidine,ksc226a9b,tpc-h013,4-methyl-1,3-diazine,pyrimidine, 4-methyl-6ci,7ci,8ci,9ci PubChem CID: 18922 IUPAC Name: 4-methylpyrimidine SMILES: CC1=NC=NC=C1

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Specifications

PubChem CID	18922
CAS	3438-46-8
Molecular Weight (g/mol)	94.117
MDL Number	MFCD00006115
SMILES	CC1=NC=NC=C1
Synonym	pyrimidine, 4-methyl,4-methyl-pyrimidine,4-methyl pyrimidine,pubchem20803,6-methylpyrimidine,4-methylpyrimidine,ksc226a9b,tpc-h013,4-methyl-1,3-diazine,pyrimidine, 4-methyl-6ci,7ci,8ci,9ci
IUPAC Name	4-methylpyrimidine
InChI Key	LVILGAOSPDLNRM-UHFFFAOYSA-N
Molecular Formula	C5H6N2

3-Methylthiophene-2-carbonitrile, 96%

CAS: 55406-13-8 Molecular Formula: C6H5NS Molecular Weight (g/mol): 123.173 MDL Number: MFCD00052086 InChI Key: ALZHYEITUZEZMT-UHFFFAOYSA-N Synonym: 3-methyl-2-thiophenecarbonitrile,2-cyano-3-methylthiophene,acmc-1axot,3-methyl-thiophene-2-carbonitrile,3-methyl-2-thiophenecarbonitrile # PubChem CID: 521617 IUPAC Name: 3-methylthiophene-2-carbonitrile SMILES: CC1=C(SC=C1)C#N

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Specifications

PubChem CID	521617
CAS	55406-13-8
Molecular Weight (g/mol)	123.173
MDL Number	MFCD00052086
SMILES	CC1=C(SC=C1)C#N
Synonym	3-methyl-2-thiophenecarbonitrile,2-cyano-3-methylthiophene,acmc-1axot,3-methyl-thiophene-2-carbonitrile,3-methyl-2-thiophenecarbonitrile #
IUPAC Name	3-methylthiophene-2-carbonitrile
InChI Key	ALZHYEITUZEZMT-UHFFFAOYSA-N
Molecular Formula	C6H5NS

Pyridazine, 98+%

CAS: 289-80-5 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006463 InChI Key: PBMFSQRYOILNGV-UHFFFAOYSA-N Synonym: orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x PubChem CID: 9259 ChEBI: CHEBI:30954 IUPAC Name: pyridazine SMILES: C1=CC=NN=C1

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Specifications

PubChem CID	9259
CAS	289-80-5
Molecular Weight (g/mol)	80.09
ChEBI	CHEBI:30954
MDL Number	MFCD00006463
SMILES	C1=CC=NN=C1
Synonym	orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x
IUPAC Name	pyridazine
InChI Key	PBMFSQRYOILNGV-UHFFFAOYSA-N
Molecular Formula	C4H4N2

5,6-Dimethylbenzimidazole, 99+%

CAS: 582-60-5 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00005603 InChI Key: LJUQGASMPRMWIW-UHFFFAOYSA-N Synonym: 5,6-dimethylbenzimidazole,dimedazol,dimedazole,dimesol,dimezol,5,6-dimethyl-1h-benzo d imidazole,dimethylbenzimidazole,1h-benzimidazole, 5,6-dimethyl,benzimidazole, 5,6-dimethyl,5.6-dimethylbenzimidazole PubChem CID: 675 ChEBI: CHEBI:15890 IUPAC Name: 5,6-dimethyl-1H-1,3-benzodiazole SMILES: CC1=C(C)C=C2N=CNC2=C1

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Specifications

PubChem CID	675
CAS	582-60-5
Molecular Weight (g/mol)	146.19
ChEBI	CHEBI:15890
MDL Number	MFCD00005603
SMILES	CC1=C(C)C=C2N=CNC2=C1
Synonym	5,6-dimethylbenzimidazole,dimedazol,dimedazole,dimesol,dimezol,5,6-dimethyl-1h-benzo d imidazole,dimethylbenzimidazole,1h-benzimidazole, 5,6-dimethyl,benzimidazole, 5,6-dimethyl,5.6-dimethylbenzimidazole
IUPAC Name	5,6-dimethyl-1H-1,3-benzodiazole
InChI Key	LJUQGASMPRMWIW-UHFFFAOYSA-N
Molecular Formula	C9H10N2

Pyrazine, 99+% (dry wt.) water <1.0%

CAS: 290-37-9 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006122 InChI Key: KYQCOXFCLRTKLS-UHFFFAOYSA-N Synonym: 1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine; PubChem CID: 9261 ChEBI: CHEBI:30953 IUPAC Name: pyrazine SMILES: C1=CN=CC=N1

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Specifications

PubChem CID	9261
CAS	290-37-9
Molecular Weight (g/mol)	80.09
ChEBI	CHEBI:30953
MDL Number	MFCD00006122
SMILES	C1=CN=CC=N1
Synonym	1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine;
IUPAC Name	pyrazine
InChI Key	KYQCOXFCLRTKLS-UHFFFAOYSA-N
Molecular Formula	C4H4N2

Isoquinoline, 97%

CAS: 119-65-3 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006898,MFCD31699977 InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N Synonym: 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech PubChem CID: 8405 ChEBI: CHEBI:16092 IUPAC Name: isoquinoline SMILES: C1=CC=C2C=NC=CC2=C1

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Specifications

PubChem CID	8405
CAS	119-65-3
Molecular Weight (g/mol)	129.16
ChEBI	CHEBI:16092
MDL Number	MFCD00006898,MFCD31699977
SMILES	C1=CC=C2C=NC=CC2=C1
Synonym	2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech
IUPAC Name	isoquinoline
InChI Key	AWJUIBRHMBBTKR-UHFFFAOYSA-N
Molecular Formula	C9H7N

5-Amino-1H-tetrazole monohydrate, 99%

CAS: 15454-54-3 Molecular Formula: CH5N5O Molecular Weight (g/mol): 103.085 MDL Number: MFCD00149327 InChI Key: JVSMPWHQUPKRNV-UHFFFAOYSA-N Synonym: 1h-tetrazol-5-amine hydrate,5-amino-1h-tetrazole monohydrate,5-aminotetrazole monohydrate,5-amino-1h-tetrazole hydrate,5-aminotetrazole hydrate,1h-1,2,3,4-tetrazol-5-amine hydrate,2h-1,2,3,4-tetrazol-5-amine hydrate,tetrazol-5-amine,5-aminotetrazole.h2o,5-aminotetrazole h2o PubChem CID: 12211273 IUPAC Name: 2H-tetrazol-5-amine;hydrate SMILES: C1(=NNN=N1)N.O

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Specifications

PubChem CID	12211273
CAS	15454-54-3
Molecular Weight (g/mol)	103.085
MDL Number	MFCD00149327
SMILES	C1(=NNN=N1)N.O
Synonym	1h-tetrazol-5-amine hydrate,5-amino-1h-tetrazole monohydrate,5-aminotetrazole monohydrate,5-amino-1h-tetrazole hydrate,5-aminotetrazole hydrate,1h-1,2,3,4-tetrazol-5-amine hydrate,2h-1,2,3,4-tetrazol-5-amine hydrate,tetrazol-5-amine,5-aminotetrazole.h2o,5-aminotetrazole h2o
IUPAC Name	2H-tetrazol-5-amine;hydrate
InChI Key	JVSMPWHQUPKRNV-UHFFFAOYSA-N
Molecular Formula	CH5N5O

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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Specifications

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

Furfuryl Alcohol, 98%

CAS: 98-00-0 Molecular Formula: C₅H₆O₂ Molecular Weight (g/mol): 98.1 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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Specifications

PubChem CID	7361
CAS	98-00-0
Molecular Weight (g/mol)	98.1
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

Furfuryl mercaptan, 97%

CAS: 98-02-2 Molecular Formula: C₅H₆OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00003254 InChI Key: ZFFTZDQKIXPDAF-UHFFFAOYSA-N Synonym: furfuryl mercaptan,2-furanmethanethiol,2-furylmethanethiol,furfuryl thiol,2-furylmethyl mercaptan,2-furfurylmercaptan,furan-2-yl-methanethiol,2-mercaptomethyl furan,furfurylmercaptan,2-furfurylthiol PubChem CID: 7363 IUPAC Name: furan-2-ylmethanethiol SMILES: C1=COC(=C1)CS

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Specifications

PubChem CID	7363
CAS	98-02-2
Molecular Weight (g/mol)	114.16
MDL Number	MFCD00003254
SMILES	C1=COC(=C1)CS
Synonym	furfuryl mercaptan,2-furanmethanethiol,2-furylmethanethiol,furfuryl thiol,2-furylmethyl mercaptan,2-furfurylmercaptan,furan-2-yl-methanethiol,2-mercaptomethyl furan,furfurylmercaptan,2-furfurylthiol
IUPAC Name	furan-2-ylmethanethiol
InChI Key	ZFFTZDQKIXPDAF-UHFFFAOYSA-N
Molecular Formula	C₅H₆OS

2-sec-Butylthiazole, 98+%

CAS: 18277-27-5 Molecular Formula: C7H11NS Molecular Weight (g/mol): 141.23 MDL Number: MFCD00051951 InChI Key: MHJSWOZJMPIGJQ-UHFFFAOYNA-N Synonym: 2-sec-butylthiazole,2-sec-butyl thiazole,2-1-methylpropyl thiazole,2-1-methylpropyl-thiazole,thiazole, 2-1-methylpropyl,2-butan-2-yl-1,3-thiazole,thiazole, 2-sec-butyl,fema no. 3372,2-s-butylthiazole PubChem CID: 519539 IUPAC Name: 2-butan-2-yl-1,3-thiazole SMILES: CCC(C)C1=NC=CS1

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Specifications

PubChem CID	519539
CAS	18277-27-5
Molecular Weight (g/mol)	141.23
MDL Number	MFCD00051951
SMILES	CCC(C)C1=NC=CS1
Synonym	2-sec-butylthiazole,2-sec-butyl thiazole,2-1-methylpropyl thiazole,2-1-methylpropyl-thiazole,thiazole, 2-1-methylpropyl,2-butan-2-yl-1,3-thiazole,thiazole, 2-sec-butyl,fema no. 3372,2-s-butylthiazole
IUPAC Name	2-butan-2-yl-1,3-thiazole
InChI Key	MHJSWOZJMPIGJQ-UHFFFAOYNA-N
Molecular Formula	C7H11NS

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

Heteroaromatic compounds

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