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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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

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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-Amino-5-cyclopropyl-1,3,4-thiadiazole, 98%

CAS: 57235-50-4 Molecular Formula: C5H7N3S Molecular Weight (g/mol): 141.19 MDL Number: MFCD00051649 InChI Key: AVLUMBXGKFNNAS-UHFFFAOYSA-N Synonym: 2-amino-5-cyclopropyl-1,3,4-thiadiazole,5-cyclopropyl 1,3,4 thiadiazol-2-ylamine,5-cyclopropyl-1,3,4-thiadiazole-2-ylamine,acmc-20ao4n,enamine_005503,5-cyclopropyl-2-amino-1,3,4-thiadiazole,1,3,4-thiadiazol-2-amine,5-cyclopropyl,5-cyclopropyl-1,3,4 thiadiazol-2-ylamine PubChem CID: 717021 IUPAC Name: 5-cyclopropyl-1,3,4-thiadiazol-2-amine SMILES: NC1=NN=C(S1)C1CC1

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Specifications

PubChem CID	717021
CAS	57235-50-4
Molecular Weight (g/mol)	141.19
MDL Number	MFCD00051649
SMILES	NC1=NN=C(S1)C1CC1
Synonym	2-amino-5-cyclopropyl-1,3,4-thiadiazole,5-cyclopropyl 1,3,4 thiadiazol-2-ylamine,5-cyclopropyl-1,3,4-thiadiazole-2-ylamine,acmc-20ao4n,enamine_005503,5-cyclopropyl-2-amino-1,3,4-thiadiazole,1,3,4-thiadiazol-2-amine,5-cyclopropyl,5-cyclopropyl-1,3,4 thiadiazol-2-ylamine
IUPAC Name	5-cyclopropyl-1,3,4-thiadiazol-2-amine
InChI Key	AVLUMBXGKFNNAS-UHFFFAOYSA-N
Molecular Formula	C5H7N3S

2-Benzylpyridine, 98+%

CAS: 101-82-6 Molecular Formula: C12H11N Molecular Weight (g/mol): 169.23 MDL Number: MFCD00006352 InChI Key: PCFUWBOSXMKGIP-UHFFFAOYSA-N Synonym: pyridine, 2-phenylmethyl,pyridine, 2-benzyl,2-phenylmethyl pyridine,unii-ew2n4v60mq,2-benzyl-pyridine,ew2n4v60mq,benzylpyridine,2-benzylpyridine,pyridine, phenylmethyl,5-20-07-00556 beilstein handbook reference PubChem CID: 7581 IUPAC Name: 2-benzylpyridine SMILES: C(C1=CC=CC=C1)C1=CC=CC=N1

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Specifications

PubChem CID	7581
CAS	101-82-6
Molecular Weight (g/mol)	169.23
MDL Number	MFCD00006352
SMILES	C(C1=CC=CC=C1)C1=CC=CC=N1
Synonym	pyridine, 2-phenylmethyl,pyridine, 2-benzyl,2-phenylmethyl pyridine,unii-ew2n4v60mq,2-benzyl-pyridine,ew2n4v60mq,benzylpyridine,2-benzylpyridine,pyridine, phenylmethyl,5-20-07-00556 beilstein handbook reference
IUPAC Name	2-benzylpyridine
InChI Key	PCFUWBOSXMKGIP-UHFFFAOYSA-N
Molecular Formula	C12H11N

Sulfur trioxide-pyridine complex, 98%, active SO3 ca 48-50%

CAS: 26412-87-3 Molecular Formula: C5H5NO3S Molecular Weight (g/mol): 159.16 MDL Number: MFCD00012437 InChI Key: UDYFLDICVHJSOY-UHFFFAOYSA-N Synonym: pyridine sulfur trioxide,sulfur trioxide pyridine complex,pyridine; sulfur trioxide,pyridine sulfotrioxide,pyridine compound with sulfur trioxide 1:1,sulfur trioxide, compd. with pyridine,pyridine-sulfur trioxide complex,active sulfure trioxide,sulfur trioxide-pyridine,pyridine-sulfur trioxide PubChem CID: 168533 SMILES: O=S(=O)=O.C1=CC=NC=C1

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Specifications

PubChem CID	168533
CAS	26412-87-3
Molecular Weight (g/mol)	159.16
MDL Number	MFCD00012437
SMILES	O=S(=O)=O.C1=CC=NC=C1
Synonym	pyridine sulfur trioxide,sulfur trioxide pyridine complex,pyridine; sulfur trioxide,pyridine sulfotrioxide,pyridine compound with sulfur trioxide 1:1,sulfur trioxide, compd. with pyridine,pyridine-sulfur trioxide complex,active sulfure trioxide,sulfur trioxide-pyridine,pyridine-sulfur trioxide
InChI Key	UDYFLDICVHJSOY-UHFFFAOYSA-N
Molecular Formula	C5H5NO3S

2,4-Dimethyl-3-ethylpyrrole, 96%

CAS: 517-22-6 MDL Number: MFCD00005222 InChI Key: ZEBBLOXDLGIMEG-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference PubChem CID: 10600 IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole SMILES: CCC1=C(NC=C1C)C

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Specifications

PubChem CID	10600
CAS	517-22-6
MDL Number	MFCD00005222
SMILES	CCC1=C(NC=C1C)C
Synonym	2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference
IUPAC Name	3-ethyl-2,4-dimethyl-1H-pyrrole
InChI Key	ZEBBLOXDLGIMEG-UHFFFAOYSA-N

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-Mercaptobenzothiazole, 95%

CAS: 149-30-4 Molecular Formula: C₇H₅NS₂ Molecular Weight (g/mol): 167.24 MDL Number: MFCD00005781 InChI Key: YXIWHUQXZSMYRE-UHFFFAOYSA-N Synonym: 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax PubChem CID: 697993 ChEBI: CHEBI:34292 IUPAC Name: 3H-1,3-benzothiazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)S2

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Specifications

PubChem CID	697993
CAS	149-30-4
Molecular Weight (g/mol)	167.24
ChEBI	CHEBI:34292
MDL Number	MFCD00005781
SMILES	C1=CC=C2C(=C1)NC(=S)S2
Synonym	2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax
IUPAC Name	3H-1,3-benzothiazole-2-thione
InChI Key	YXIWHUQXZSMYRE-UHFFFAOYSA-N
Molecular Formula	C₇H₅NS₂

2-Methylbenzimidazole, 98%

CAS: 615-15-6 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00005598 InChI Key: LDZYRENCLPUXAX-UHFFFAOYSA-N Synonym: 2-methylbenzimidazole,2-methyl-1h-benzo d imidazole,1h-benzimidazole, 2-methyl,benzimidazole, 2-methyl,2-methyl-1h-benzoimidazole,2-methyl-1h-1,3-benzodiazole,acetamidine, n-n'-o-phenylene,2-methyl benzimidazole,unii-zh8iww7y8b,2-methylbenaimidazole PubChem CID: 11984 IUPAC Name: 2-methyl-1H-benzimidazole SMILES: CC1=NC2=CC=CC=C2N1

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Specifications

PubChem CID	11984
CAS	615-15-6
Molecular Weight (g/mol)	132.17
MDL Number	MFCD00005598
SMILES	CC1=NC2=CC=CC=C2N1
Synonym	2-methylbenzimidazole,2-methyl-1h-benzo d imidazole,1h-benzimidazole, 2-methyl,benzimidazole, 2-methyl,2-methyl-1h-benzoimidazole,2-methyl-1h-1,3-benzodiazole,acetamidine, n-n'-o-phenylene,2-methyl benzimidazole,unii-zh8iww7y8b,2-methylbenaimidazole
IUPAC Name	2-methyl-1H-benzimidazole
InChI Key	LDZYRENCLPUXAX-UHFFFAOYSA-N
Molecular Formula	C8H8N2

2-Methylfuran, 99%, stabilized

CAS: 534-22-5 MDL Number: MFCD00003248 InChI Key: VQKFNUFAXTZWDK-UHFFFAOYSA-N Synonym: methylfuran,sylvan,2-methyl furan,silvan,furan, 2-methyl,5-methylfuran,alpha-methylfuran,furan, methyl,silvan czech,.alpha.-methylfuran PubChem CID: 10797 IUPAC Name: 2-methylfuran SMILES: CC1=CC=CO1

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Specifications

PubChem CID	10797
CAS	534-22-5
MDL Number	MFCD00003248
SMILES	CC1=CC=CO1
Synonym	methylfuran,sylvan,2-methyl furan,silvan,furan, 2-methyl,5-methylfuran,alpha-methylfuran,furan, methyl,silvan czech,.alpha.-methylfuran
IUPAC Name	2-methylfuran
InChI Key	VQKFNUFAXTZWDK-UHFFFAOYSA-N

3-Methylindole, 98%

CAS: 83-34-1 Molecular Formula: C₉H₉N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00005627 InChI Key: ZFRKQXVRDFCRJG-UHFFFAOYSA-N Synonym: 3-methylindole,skatole,scatole,skatol,1h-indole, 3-methyl,beta-methylindole,indole, 3-methyl,3-mi,3-methyl-4,5-benzopyrrole,3-methyl indole PubChem CID: 6736 ChEBI: CHEBI:9171 IUPAC Name: 3-methyl-1H-indole SMILES: CC1=CNC2=CC=CC=C12

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Specifications

PubChem CID	6736
CAS	83-34-1
Molecular Weight (g/mol)	131.18
ChEBI	CHEBI:9171
MDL Number	MFCD00005627
SMILES	CC1=CNC2=CC=CC=C12
Synonym	3-methylindole,skatole,scatole,skatol,1h-indole, 3-methyl,beta-methylindole,indole, 3-methyl,3-mi,3-methyl-4,5-benzopyrrole,3-methyl indole
IUPAC Name	3-methyl-1H-indole
InChI Key	ZFRKQXVRDFCRJG-UHFFFAOYSA-N
Molecular Formula	C₉H₉N

2-Methylpyrazine, 99+%

CAS: 109-08-0 Molecular Formula: C₅H₆N₂ Molecular Weight (g/mol): 94.12 MDL Number: MFCD00006142 InChI Key: CAWHJQAVHZEVTJ-UHFFFAOYSA-N Synonym: methylpyrazine,pyrazine, methyl,pyrazine, 2-methyl,2-methyl-1,4-diazine,2-methyl pyrazine,2-methyl-pyrazine,unii-rvc6500u9c,fema no. 3309,ccris 2927,wln: t6n dnj b1 PubChem CID: 7976 IUPAC Name: 2-methylpyrazine SMILES: CC1=NC=CN=C1

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Specifications

PubChem CID	7976
CAS	109-08-0
Molecular Weight (g/mol)	94.12
MDL Number	MFCD00006142
SMILES	CC1=NC=CN=C1
Synonym	methylpyrazine,pyrazine, methyl,pyrazine, 2-methyl,2-methyl-1,4-diazine,2-methyl pyrazine,2-methyl-pyrazine,unii-rvc6500u9c,fema no. 3309,ccris 2927,wln: t6n dnj b1
IUPAC Name	2-methylpyrazine
InChI Key	CAWHJQAVHZEVTJ-UHFFFAOYSA-N
Molecular Formula	C₅H₆N₂

2,3-Dimethylpyrazine, 99%

CAS: 5910-89-4 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006144 InChI Key: OXQOBQJCDNLAPO-UHFFFAOYSA-N Synonym: pyrazine, 2,3-dimethyl,2,3-dimethyl-1,4-diazine,2,3-dimethyl-pyrazine,pyrazine, dimethyl,2,3-dimethyl pyrazine,ccris 2928,unii-whf7883d0v,fema no. 3271,natural,dimethylpyrazine PubChem CID: 22201 IUPAC Name: 2,3-dimethylpyrazine SMILES: CC1=NC=CN=C1C

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Specifications

PubChem CID	22201
CAS	5910-89-4
Molecular Weight (g/mol)	108.14
MDL Number	MFCD00006144
SMILES	CC1=NC=CN=C1C
Synonym	pyrazine, 2,3-dimethyl,2,3-dimethyl-1,4-diazine,2,3-dimethyl-pyrazine,pyrazine, dimethyl,2,3-dimethyl pyrazine,ccris 2928,unii-whf7883d0v,fema no. 3271,natural,dimethylpyrazine
IUPAC Name	2,3-dimethylpyrazine
InChI Key	OXQOBQJCDNLAPO-UHFFFAOYSA-N
Molecular Formula	C6H8N2

Benzothiazole, 97%

CAS: 95-16-9 Molecular Formula: C₇H₅NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00005775 InChI Key: IOJUPLGTWVMSFF-UHFFFAOYSA-N Synonym: benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep PubChem CID: 7222 ChEBI: CHEBI:45993 IUPAC Name: 1,3-benzothiazole SMILES: C1=CC=C2C(=C1)N=CS2

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Specifications

PubChem CID	7222
CAS	95-16-9
Molecular Weight (g/mol)	135.18
ChEBI	CHEBI:45993
MDL Number	MFCD00005775
SMILES	C1=CC=C2C(=C1)N=CS2
Synonym	benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep
IUPAC Name	1,3-benzothiazole
InChI Key	IOJUPLGTWVMSFF-UHFFFAOYSA-N
Molecular Formula	C₇H₅NS

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