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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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

Pyrazine, 98%

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

Di-2-pyridyl thionocarbonate, 97%

CAS: 96989-50-3 Molecular Formula: C₁₁H₈N₂O₂S Molecular Weight (g/mol): 232.26 MDL Number: MFCD00074870 InChI Key: IKYOVSVBLHGFMA-UHFFFAOYSA-N Synonym: di-2-pyridyl thionocarbonate,o,o-di pyridin-2-yl carbonothioate,o,o'-di-2-pyridyl thiocarbonate,o,o-dipyridin-2-yl carbonothioate,di 2-pyridyl thionocarbonate,carbonothioic acid, o,o-di-2-pyridinyl ester,di 2-pyridyloxy methane-1-thione,o,o-dipyridin-2-yl thiocarbonate,bis pyridin-2-yloxy methanethione,di-2-pyridyl thiocarbomate PubChem CID: 719784 IUPAC Name: dipyridin-2-yloxymethanethione SMILES: C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2

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Specifications

PubChem CID	719784
CAS	96989-50-3
Molecular Weight (g/mol)	232.26
MDL Number	MFCD00074870
SMILES	C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2
Synonym	di-2-pyridyl thionocarbonate,o,o-di pyridin-2-yl carbonothioate,o,o'-di-2-pyridyl thiocarbonate,o,o-dipyridin-2-yl carbonothioate,di 2-pyridyl thionocarbonate,carbonothioic acid, o,o-di-2-pyridinyl ester,di 2-pyridyloxy methane-1-thione,o,o-dipyridin-2-yl thiocarbonate,bis pyridin-2-yloxy methanethione,di-2-pyridyl thiocarbomate
IUPAC Name	dipyridin-2-yloxymethanethione
InChI Key	IKYOVSVBLHGFMA-UHFFFAOYSA-N
Molecular Formula	C₁₁H₈N₂O₂S

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

4-(2-Furyl)but-3-en-2-one, 97%, Thermo Scientific™

CAS: 623-15-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00039566 InChI Key: GBKGJMYPQZODMI-SNAWJCMRSA-N Synonym: furfurylideneacetone,4-2-furyl-3-buten-2-one,3-buten-2-one, 4-2-furanyl,fam polymer,oramin r,furfural acetone,oramin special gr,furfuralacetone polymer,polyfurfurylidineacetone,furfuralacetone PubChem CID: 735940 IUPAC Name: (E)-4-(furan-2-yl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC=CO1

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PubChem CID	735940
CAS	623-15-4
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00039566
SMILES	CC(=O)C=CC1=CC=CO1
Synonym	furfurylideneacetone,4-2-furyl-3-buten-2-one,3-buten-2-one, 4-2-furanyl,fam polymer,oramin r,furfural acetone,oramin special gr,furfuralacetone polymer,polyfurfurylidineacetone,furfuralacetone
IUPAC Name	(E)-4-(furan-2-yl)but-3-en-2-one
InChI Key	GBKGJMYPQZODMI-SNAWJCMRSA-N
Molecular Formula	C8H8O2

2-Phenylthiophene, 95%

CAS: 825-55-8 Molecular Formula: C10H8S Molecular Weight (g/mol): 160.234 MDL Number: MFCD00130080 InChI Key: PJRGDKFLFAYRBV-UHFFFAOYSA-N Synonym: thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe PubChem CID: 69999 IUPAC Name: 2-phenylthiophene SMILES: C1=CC=C(C=C1)C2=CC=CS2

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Specifications

PubChem CID	69999
CAS	825-55-8
Molecular Weight (g/mol)	160.234
MDL Number	MFCD00130080
SMILES	C1=CC=C(C=C1)C2=CC=CS2
Synonym	thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe
IUPAC Name	2-phenylthiophene
InChI Key	PJRGDKFLFAYRBV-UHFFFAOYSA-N
Molecular Formula	C10H8S

Phthalazine, 98%

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4-Ethylpyridine, 98%

CAS: 536-75-4 Molecular Formula: C₇H₉N Molecular Weight (g/mol): 107.15 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)	107.15
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

2,5-Dimethylfuran, 99%

CAS: 625-86-5 Molecular Formula: C₆H₈O Molecular Weight (g/mol): 96.13 MDL Number: MFCD00003250 InChI Key: GSNUFIFRDBKVIE-UHFFFAOYSA-N Synonym: furan, 2,5-dimethyl,2,5-dimethylfurane,2,5-dimethyl-furan,2,5-dimethyl furane,unii-dr5hl9oj7y,ccris 3158,2,5-dimethyl furan,dr5hl9oj7y,2.5-dimethyl furan,acmc-1avpg PubChem CID: 12266 IUPAC Name: 2,5-dimethylfuran SMILES: CC1=CC=C(O1)C

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Specifications

PubChem CID	12266
CAS	625-86-5
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00003250
SMILES	CC1=CC=C(O1)C
Synonym	furan, 2,5-dimethyl,2,5-dimethylfurane,2,5-dimethyl-furan,2,5-dimethyl furane,unii-dr5hl9oj7y,ccris 3158,2,5-dimethyl furan,dr5hl9oj7y,2.5-dimethyl furan,acmc-1avpg
IUPAC Name	2,5-dimethylfuran
InChI Key	GSNUFIFRDBKVIE-UHFFFAOYSA-N
Molecular Formula	C₆H₈O

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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Specifications

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

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

Thiabendazole, 98+%

CAS: 148-79-8 Molecular Formula: C10H7N3S Molecular Weight (g/mol): 201.247 MDL Number: MFCD00005587 InChI Key: WJCNZQLZVWNLKY-UHFFFAOYSA-N Synonym: thiabendazole,tiabendazole,mintezol,equizole,tiabendazol,mintesol,omnizole,thibenzole,thiabendazol,bovizole PubChem CID: 5430 ChEBI: CHEBI:45979 IUPAC Name: 4-(1H-benzimidazol-2-yl)-1,3-thiazole SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3

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Specifications

PubChem CID	5430
CAS	148-79-8
Molecular Weight (g/mol)	201.247
ChEBI	CHEBI:45979
MDL Number	MFCD00005587
SMILES	C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
Synonym	thiabendazole,tiabendazole,mintezol,equizole,tiabendazol,mintesol,omnizole,thibenzole,thiabendazol,bovizole
IUPAC Name	4-(1H-benzimidazol-2-yl)-1,3-thiazole
InChI Key	WJCNZQLZVWNLKY-UHFFFAOYSA-N
Molecular Formula	C10H7N3S

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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Specifications

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

Heteroaromatic compounds

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