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

Di-2-pyridyl thionocarbonate, 98%

CAS: 96989-50-3 Molecular Formula: C11H8N2O2S Molecular Weight (g/mol): 232.257 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)	232.257
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

3-Methylthiophene, 98+%

CAS: 616-44-4 Molecular Formula: C5H6S Molecular Weight (g/mol): 98.163 MDL Number: MFCD00005470 InChI Key: QENGPZGAWFQWCZ-UHFFFAOYSA-N Synonym: thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer PubChem CID: 12024 IUPAC Name: 3-methylthiophene SMILES: CC1=CSC=C1

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Specifications

PubChem CID	12024
CAS	616-44-4
Molecular Weight (g/mol)	98.163
MDL Number	MFCD00005470
SMILES	CC1=CSC=C1
Synonym	thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer
IUPAC Name	3-methylthiophene
InChI Key	QENGPZGAWFQWCZ-UHFFFAOYSA-N
Molecular Formula	C5H6S

Thiophene-3-acetic acid hydrazide, 97%

CAS: 175276-94-5 Molecular Formula: C6H8N2OS Molecular Weight (g/mol): 156.20 MDL Number: MFCD00052946 InChI Key: YNMRDHMMFCGQBD-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl acetohydrazide,thiophene-3-acetic acid hydrazide,2-3-thienyl acetohydrazide,2-thien-3-yl acetohydrazide,3-thiopheneacetic acid,hydrazide,3 thienyl-acetic acid hydrazide,2-thien-3-ylacetohydrazide,acmc-20ajii,maybridge1_008350,3-thienyl acetohydrazide PubChem CID: 468649 IUPAC Name: 2-thiophen-3-ylacetohydrazide SMILES: NNC(=O)CC1=CSC=C1

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Specifications

PubChem CID	468649
CAS	175276-94-5
Molecular Weight (g/mol)	156.20
MDL Number	MFCD00052946
SMILES	NNC(=O)CC1=CSC=C1
Synonym	2-thiophen-3-yl acetohydrazide,thiophene-3-acetic acid hydrazide,2-3-thienyl acetohydrazide,2-thien-3-yl acetohydrazide,3-thiopheneacetic acid,hydrazide,3 thienyl-acetic acid hydrazide,2-thien-3-ylacetohydrazide,acmc-20ajii,maybridge1_008350,3-thienyl acetohydrazide
IUPAC Name	2-thiophen-3-ylacetohydrazide
InChI Key	YNMRDHMMFCGQBD-UHFFFAOYSA-N
Molecular Formula	C6H8N2OS

7-Azaindole, 98%

CAS: 271-63-6 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005606,MFCD00075874 InChI Key: MVXVYAKCVDQRLW-UHFFFAOYSA-N Synonym: 7-azaindole,1h-pyrrolo 2,3-b pyridine,1,7-diazaindene,7h-pyrrolo 2,3-b pyridine,7-aza-1-pyrindine,1,7-dideazapurine,1 h-pyrrolo 2,3:b pyridine,7-aza indole,unii-qx4465nr9t PubChem CID: 9222 IUPAC Name: 1H-pyrrolo[2,3-b]pyridine SMILES: N1C=CC2=CC=CN=C12

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Specifications

PubChem CID	9222
CAS	271-63-6
Molecular Weight (g/mol)	118.14
MDL Number	MFCD00005606,MFCD00075874
SMILES	N1C=CC2=CC=CN=C12
Synonym	7-azaindole,1h-pyrrolo 2,3-b pyridine,1,7-diazaindene,7h-pyrrolo 2,3-b pyridine,7-aza-1-pyrindine,1,7-dideazapurine,1 h-pyrrolo 2,3:b pyridine,7-aza indole,unii-qx4465nr9t
IUPAC Name	1H-pyrrolo[2,3-b]pyridine
InChI Key	MVXVYAKCVDQRLW-UHFFFAOYSA-N
Molecular Formula	C7H6N2

2,6-Di-tert-butylpyridine, 97%

CAS: 585-48-8 Molecular Formula: C₁₃H₂₁N Molecular Weight (g/mol): 191.32 MDL Number: MFCD00006306 InChI Key: UWKQJZCTQGMHKD-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119 PubChem CID: 68510 IUPAC Name: 2,6-ditert-butylpyridine SMILES: CC(C)(C)C1=NC(=CC=C1)C(C)(C)C

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Specifications

PubChem CID	68510
CAS	585-48-8
Molecular Weight (g/mol)	191.32
MDL Number	MFCD00006306
SMILES	CC(C)(C)C1=NC(=CC=C1)C(C)(C)C
Synonym	2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119
IUPAC Name	2,6-ditert-butylpyridine
InChI Key	UWKQJZCTQGMHKD-UHFFFAOYSA-N
Molecular Formula	C₁₃H₂₁N

3-Methylthiophene-2-boronic acid, 98%

CAS: 177735-09-0 Molecular Formula: C5H7BO2S Molecular Weight (g/mol): 141.979 MDL Number: MFCD00236049 InChI Key: MOOOGTOEKZWEJA-UHFFFAOYSA-N Synonym: 3-methylthiophene-2-boronic acid,3-methylthiophen-2-yl boronic acid,3-methyl-2-thienylboronic acid,3-methylthiophen-2-yl-2-boronic acid,3-methyl-2-thiopheneboronic acid,3-methyl-2-thienyl boronic acid,3-methyl-thiophen-2-boronic acid,3-methylthiophene-2-boronicacid,acmc-209ede,boronic acid, 3-methyl-2-thienyl PubChem CID: 3276437 IUPAC Name: (3-methylthiophen-2-yl)boronic acid SMILES: B(C1=C(C=CS1)C)(O)O

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Specifications

PubChem CID	3276437
CAS	177735-09-0
Molecular Weight (g/mol)	141.979
MDL Number	MFCD00236049
SMILES	B(C1=C(C=CS1)C)(O)O
Synonym	3-methylthiophene-2-boronic acid,3-methylthiophen-2-yl boronic acid,3-methyl-2-thienylboronic acid,3-methylthiophen-2-yl-2-boronic acid,3-methyl-2-thiopheneboronic acid,3-methyl-2-thienyl boronic acid,3-methyl-thiophen-2-boronic acid,3-methylthiophene-2-boronicacid,acmc-209ede,boronic acid, 3-methyl-2-thienyl
IUPAC Name	(3-methylthiophen-2-yl)boronic acid
InChI Key	MOOOGTOEKZWEJA-UHFFFAOYSA-N
Molecular Formula	C5H7BO2S

3-Methylthiophene, 99+%

CAS: 616-44-4 Molecular Formula: C₅H₆S Molecular Weight (g/mol): 98.17 MDL Number: MFCD00005470 InChI Key: QENGPZGAWFQWCZ-UHFFFAOYSA-N Synonym: thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer PubChem CID: 12024 IUPAC Name: 3-methylthiophene SMILES: CC1=CSC=C1

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Specifications

PubChem CID	12024
CAS	616-44-4
Molecular Weight (g/mol)	98.17
MDL Number	MFCD00005470
SMILES	CC1=CSC=C1
Synonym	thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer
IUPAC Name	3-methylthiophene
InChI Key	QENGPZGAWFQWCZ-UHFFFAOYSA-N
Molecular Formula	C₅H₆S

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

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

3-Octylthiophene, 97%, Thermo Scientific Chemicals

CAS: 65016-62-8 MDL Number: MFCD00085281 InChI Key: WQYWXQCOYRZFAV-UHFFFAOYSA-N Synonym: 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 PubChem CID: 566852 IUPAC Name: 3-octylthiophene SMILES: CCCCCCCCC1=CSC=C1

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Specifications

PubChem CID	566852
CAS	65016-62-8
MDL Number	MFCD00085281
SMILES	CCCCCCCCC1=CSC=C1
Synonym	3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691
IUPAC Name	3-octylthiophene
InChI Key	WQYWXQCOYRZFAV-UHFFFAOYSA-N

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

Heteroaromatic compounds

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