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

2,3,5-Trimethylfuran, 99%

CAS: 10504-04-8 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD03931179 InChI Key: NJXZFRUNHWKHEC-UHFFFAOYSA-N Synonym: furan, 2,3,5-trimethyl,2,3,5-trimethyl-furan,furan,2,3,5-trimethyl PubChem CID: 517859 IUPAC Name: 2,3,5-trimethylfuran SMILES: CC1=CC(C)=C(C)O1

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Specifications

PubChem CID	517859
CAS	10504-04-8
Molecular Weight (g/mol)	110.16
MDL Number	MFCD03931179
SMILES	CC1=CC(C)=C(C)O1
Synonym	furan, 2,3,5-trimethyl,2,3,5-trimethyl-furan,furan,2,3,5-trimethyl
IUPAC Name	2,3,5-trimethylfuran
InChI Key	NJXZFRUNHWKHEC-UHFFFAOYSA-N
Molecular Formula	C7H10O

Furfuryl isocyanate, 97%

CAS: 71189-15-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD03180268 InChI Key: UIADMYLYGJYUSQ-UHFFFAOYSA-N Synonym: 2-isocyanatomethyl furan,furfuryl isocyanate,2-furylmethyl isocyanate,furfurylisocyanate,furylmethylisocyanate,2-isocyanatomethyl-furan,2-furyl methyl isocyanate,furan, 2-isocyanatomethyl PubChem CID: 4223811 IUPAC Name: 2-(isocyanatomethyl)furan SMILES: O=C=NCC1=CC=CO1

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Specifications

PubChem CID	4223811
CAS	71189-15-6
Molecular Weight (g/mol)	123.11
MDL Number	MFCD03180268
SMILES	O=C=NCC1=CC=CO1
Synonym	2-isocyanatomethyl furan,furfuryl isocyanate,2-furylmethyl isocyanate,furfurylisocyanate,furylmethylisocyanate,2-isocyanatomethyl-furan,2-furyl methyl isocyanate,furan, 2-isocyanatomethyl
IUPAC Name	2-(isocyanatomethyl)furan
InChI Key	UIADMYLYGJYUSQ-UHFFFAOYSA-N
Molecular Formula	C6H5NO2

2-Aminopurine, 98%

CAS: 452-06-2 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00005566 InChI Key: MWBWWFOAEOYUST-UHFFFAOYSA-N Synonym: 2-aminopurine,1h-purin-2-amine,9h-purin-2-amine,purine, 2-amino,aminopurine,2-amino purine,2'-amino-purine,unii-o14b3u97fw,ccris 759,9h-purin-2-ylamine PubChem CID: 9955 ChEBI: CHEBI:479072 IUPAC Name: 7H-purin-2-amine SMILES: NC1=NC=C2NC=NC2=N1

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Specifications

PubChem CID	9955
CAS	452-06-2
Molecular Weight (g/mol)	135.13
ChEBI	CHEBI:479072
MDL Number	MFCD00005566
SMILES	NC1=NC=C2NC=NC2=N1
Synonym	2-aminopurine,1h-purin-2-amine,9h-purin-2-amine,purine, 2-amino,aminopurine,2-amino purine,2'-amino-purine,unii-o14b3u97fw,ccris 759,9h-purin-2-ylamine
IUPAC Name	7H-purin-2-amine
InChI Key	MWBWWFOAEOYUST-UHFFFAOYSA-N
Molecular Formula	C5H5N5

4-(1H-1,2,4-triazol-1-yl)aniline, 97%, Thermo Scientific™

CAS: 6523-49-5 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 MDL Number: MFCD00171470 InChI Key: BLNPEJXSNSBBNM-UHFFFAOYSA-N Synonym: 4-1,2,4 triazol-1-yl-phenylamine,4-1h-1,2,4-triazol-1-yl aniline,4-1,2,4-triazol-1-yl aniline,1-4-aminophenyl-1,2,4-triazole,triazolylaniline,1-4'-aminophenyl-1,2,4-triazole,benzenamine, 4-1h-1,2,4-triazol-1-yl,4-1h-1,2,4-triazol-1-yl benzenamine,4-1,2,4-triazolyl phenylamine,pubchem3927 PubChem CID: 735826 IUPAC Name: 4-(1,2,4-triazol-1-yl)aniline SMILES: C1=CC(=CC=C1N)N2C=NC=N2

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Specifications

PubChem CID	735826
CAS	6523-49-5
Molecular Weight (g/mol)	160.18
MDL Number	MFCD00171470
SMILES	C1=CC(=CC=C1N)N2C=NC=N2
Synonym	4-1,2,4 triazol-1-yl-phenylamine,4-1h-1,2,4-triazol-1-yl aniline,4-1,2,4-triazol-1-yl aniline,1-4-aminophenyl-1,2,4-triazole,triazolylaniline,1-4'-aminophenyl-1,2,4-triazole,benzenamine, 4-1h-1,2,4-triazol-1-yl,4-1h-1,2,4-triazol-1-yl benzenamine,4-1,2,4-triazolyl phenylamine,pubchem3927
IUPAC Name	4-(1,2,4-triazol-1-yl)aniline
InChI Key	BLNPEJXSNSBBNM-UHFFFAOYSA-N
Molecular Formula	C8H8N4

Thiophene, 99.5%, extra pure, benzene free

CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1

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Specifications

PubChem CID	8030
CAS	110-02-1
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:30856
MDL Number	MFCD00005413
SMILES	S1C=CC=C1
Synonym	thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio
IUPAC Name	thiophene
InChI Key	YTPLMLYBLZKORZ-UHFFFAOYSA-N
Molecular Formula	C4H4S

2,4-Dimethylpyrrole, 97%

CAS: 625-82-1 Molecular Formula: C6H9N Molecular Weight (g/mol): 95.15 MDL Number: MFCD00192088 InChI Key: MFFMQGGZCLEMCI-UHFFFAOYSA-N Synonym: 2,4-dimethylpyrrole,1h-pyrrole, 2,4-dimethyl,pyrrole, 2,4-dimethyl,unii-ynq49m599x,pubchem24003,2,4-dimethyl-1h-pyrrol,acmc-209n5e,ksc493o6j,# PubChem CID: 39539 IUPAC Name: 2,4-dimethyl-1H-pyrrole SMILES: CC1=CC(C)=CN1

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Specifications

PubChem CID	39539
CAS	625-82-1
Molecular Weight (g/mol)	95.15
MDL Number	MFCD00192088
SMILES	CC1=CC(C)=CN1
Synonym	2,4-dimethylpyrrole,1h-pyrrole, 2,4-dimethyl,pyrrole, 2,4-dimethyl,unii-ynq49m599x,pubchem24003,2,4-dimethyl-1h-pyrrol,acmc-209n5e,ksc493o6j,#
IUPAC Name	2,4-dimethyl-1H-pyrrole
InChI Key	MFFMQGGZCLEMCI-UHFFFAOYSA-N
Molecular Formula	C6H9N

4-Phenylurazole, 98+%

CAS: 15988-11-1 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD00005226 InChI Key: GOSUFRDROXZXLN-UHFFFAOYSA-N Synonym: 4-phenylurazole,urazole, 4-phenyl,1,2,4-triazolidine-3,5-dione, 4-phenyl,bicarbamimide, n-phenyl,4-phenyl urazole,4-phenylurazol,4-phenyl-urazole,acmc-1c52y,ksc297q5n PubChem CID: 85229 IUPAC Name: 4-phenyl-1,2,4-triazolidine-3,5-dione SMILES: C1=CC=C(C=C1)N2C(=O)NNC2=O

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Specifications

PubChem CID	85229
CAS	15988-11-1
Molecular Weight (g/mol)	177.163
MDL Number	MFCD00005226
SMILES	C1=CC=C(C=C1)N2C(=O)NNC2=O
Synonym	4-phenylurazole,urazole, 4-phenyl,1,2,4-triazolidine-3,5-dione, 4-phenyl,bicarbamimide, n-phenyl,4-phenyl urazole,4-phenylurazol,4-phenyl-urazole,acmc-1c52y,ksc297q5n
IUPAC Name	4-phenyl-1,2,4-triazolidine-3,5-dione
InChI Key	GOSUFRDROXZXLN-UHFFFAOYSA-N
Molecular Formula	C8H7N3O2

2,3-Diphenylquinoxaline, 98+%

CAS: 1684-14-6 Molecular Formula: C20H14N2 Molecular Weight (g/mol): 282.346 MDL Number: MFCD00014659 InChI Key: RSNQVABHABAKEZ-UHFFFAOYSA-N PubChem CID: 74311 IUPAC Name: 2,3-diphenylquinoxaline SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

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Specifications

PubChem CID	74311
CAS	1684-14-6
Molecular Weight (g/mol)	282.346
MDL Number	MFCD00014659
SMILES	C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4
IUPAC Name	2,3-diphenylquinoxaline
InChI Key	RSNQVABHABAKEZ-UHFFFAOYSA-N
Molecular Formula	C20H14N2

5-Amino-2-methylbenzothiazole, 99%

CAS: 13382-43-9 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00226291 InChI Key: GPWQHYMVUZYWIK-UHFFFAOYSA-N Synonym: 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine PubChem CID: 36229 IUPAC Name: 2-methyl-1,3-benzothiazol-5-amine SMILES: CC1=NC2=CC(N)=CC=C2S1

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Specifications

PubChem CID	36229
CAS	13382-43-9
Molecular Weight (g/mol)	164.23
MDL Number	MFCD00226291
SMILES	CC1=NC2=CC(N)=CC=C2S1
Synonym	2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine
IUPAC Name	2-methyl-1,3-benzothiazol-5-amine
InChI Key	GPWQHYMVUZYWIK-UHFFFAOYSA-N
Molecular Formula	C8H8N2S

Thiophene-3-boronic acid, 98%

CAS: 6165-69-1 Molecular Formula: C4H5BO2S Molecular Weight (g/mol): 127.95 MDL Number: MFCD00151851 InChI Key: QNMBSXGYAQZCTN-UHFFFAOYSA-N Synonym: 3-thiopheneboronic acid,thiophene-3-boronic acid,3-thienylboronic acid,thiophene 3-boronic acid,thiophene-3-boronicacid,thiophen-3-yl-3-boronic acid,3-thienyl boronic acid,3-thiophene boronic acid,thiophen-3-yl-boranediol,boronic acid, 3-thienyl PubChem CID: 581760 IUPAC Name: thiophen-3-ylboronic acid SMILES: OB(O)C1=CSC=C1

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Specifications

PubChem CID	581760
CAS	6165-69-1
Molecular Weight (g/mol)	127.95
MDL Number	MFCD00151851
SMILES	OB(O)C1=CSC=C1
Synonym	3-thiopheneboronic acid,thiophene-3-boronic acid,3-thienylboronic acid,thiophene 3-boronic acid,thiophene-3-boronicacid,thiophen-3-yl-3-boronic acid,3-thienyl boronic acid,3-thiophene boronic acid,thiophen-3-yl-boranediol,boronic acid, 3-thienyl
IUPAC Name	thiophen-3-ylboronic acid
InChI Key	QNMBSXGYAQZCTN-UHFFFAOYSA-N
Molecular Formula	C4H5BO2S

2-Hydrazinobenzothiazole, 97%

CAS: 615-21-4 Molecular Formula: C7H7N3S Molecular Weight (g/mol): 165.214 MDL Number: MFCD00041849 InChI Key: JYSUYJCLUODSLN-UHFFFAOYSA-N Synonym: 2-hydrazinobenzothiazole,2-hydrazinylbenzo d thiazole,2-hydrazino-1,3-benzothiazole,benzothiazolohydrazine,2 3h-benzothiazolone, hydrazone,benzothiazol-2-ylhydrazine,benzothiazole, 2-hydrazino,2-benzothiazolylhydrazine,usaf ek-3967,benzothiazol-2-yl-hydrazine PubChem CID: 11988 IUPAC Name: 1,3-benzothiazol-2-ylhydrazine SMILES: C1=CC=C2C(=C1)N=C(S2)NN

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Specifications

PubChem CID	11988
CAS	615-21-4
Molecular Weight (g/mol)	165.214
MDL Number	MFCD00041849
SMILES	C1=CC=C2C(=C1)N=C(S2)NN
Synonym	2-hydrazinobenzothiazole,2-hydrazinylbenzo d thiazole,2-hydrazino-1,3-benzothiazole,benzothiazolohydrazine,2 3h-benzothiazolone, hydrazone,benzothiazol-2-ylhydrazine,benzothiazole, 2-hydrazino,2-benzothiazolylhydrazine,usaf ek-3967,benzothiazol-2-yl-hydrazine
IUPAC Name	1,3-benzothiazol-2-ylhydrazine
InChI Key	JYSUYJCLUODSLN-UHFFFAOYSA-N
Molecular Formula	C7H7N3S

5-Methylbenzo[b]thiophene, 97%

CAS: 14315-14-1 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00052509 InChI Key: DOHZWDWNQFZIKH-UHFFFAOYSA-N Synonym: 5-methylbenzo b thiophene,benzo b thiophene, 5-methyl,5-methylbenzothiophene,5-methyl-benzo b thiophene,5-methylthianaphthene,5-methyl-benzothiophene,benzothiophene, 5-mehyl,5-methyl benzo b thiophene PubChem CID: 84346 IUPAC Name: 5-methyl-1-benzothiophene SMILES: CC1=CC=C2SC=CC2=C1

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Specifications

PubChem CID	84346
CAS	14315-14-1
Molecular Weight (g/mol)	148.22
MDL Number	MFCD00052509
SMILES	CC1=CC=C2SC=CC2=C1
Synonym	5-methylbenzo b thiophene,benzo b thiophene, 5-methyl,5-methylbenzothiophene,5-methyl-benzo b thiophene,5-methylthianaphthene,5-methyl-benzothiophene,benzothiophene, 5-mehyl,5-methyl benzo b thiophene
IUPAC Name	5-methyl-1-benzothiophene
InChI Key	DOHZWDWNQFZIKH-UHFFFAOYSA-N
Molecular Formula	C9H8S

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