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

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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

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2-n-Propylthiazole, 99%

CAS: 17626-75-4 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00053154 InChI Key: CMOIEFFAOUQJPS-UHFFFAOYSA-N PubChem CID: 87198 IUPAC Name: 2-propyl-1,3-thiazole SMILES: CCCC1=NC=CS1

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Specifications

PubChem CID	87198
CAS	17626-75-4
Molecular Weight (g/mol)	127.205
MDL Number	MFCD00053154
SMILES	CCCC1=NC=CS1
IUPAC Name	2-propyl-1,3-thiazole
InChI Key	CMOIEFFAOUQJPS-UHFFFAOYSA-N
Molecular Formula	C6H9NS

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2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

CAS: 70291-62-2 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00121495 InChI Key: RILAXFOADRDGPQ-UHFFFAOYSA-N PubChem CID: 258182 IUPAC Name: 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile SMILES: NC1=C(C#N)C2=C(CCC2)S1

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Specifications

PubChem CID	258182
CAS	70291-62-2
Molecular Weight (g/mol)	164.23
MDL Number	MFCD00121495
SMILES	NC1=C(C#N)C2=C(CCC2)S1
IUPAC Name	2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
InChI Key	RILAXFOADRDGPQ-UHFFFAOYSA-N
Molecular Formula	C8H8N2S

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Quinoline-2-carbonitrile, 97%

CAS: 1436-43-7 Molecular Formula: C10H6N2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00134341 InChI Key: WDXARTMCIRVMAE-UHFFFAOYSA-N Synonym: 2-quinolinecarbonitrile,quinaldonitrile,2-cyanoquinoline,quinolinecarbonitrile,cyanoquinoline,2-cyano-quinoline,quinoline-2-carbinitrile,acmc-1bzd0 PubChem CID: 74031 IUPAC Name: quinoline-2-carbonitrile SMILES: N#CC1=CC=C2C=CC=CC2=N1

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Specifications

PubChem CID	74031
CAS	1436-43-7
Molecular Weight (g/mol)	154.17
MDL Number	MFCD00134341
SMILES	N#CC1=CC=C2C=CC=CC2=N1
Synonym	2-quinolinecarbonitrile,quinaldonitrile,2-cyanoquinoline,quinolinecarbonitrile,cyanoquinoline,2-cyano-quinoline,quinoline-2-carbinitrile,acmc-1bzd0
IUPAC Name	quinoline-2-carbonitrile
InChI Key	WDXARTMCIRVMAE-UHFFFAOYSA-N
Molecular Formula	C10H6N2

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2-Thiopheneacetic acid, 98%

CAS: 1918-77-0 MDL Number: MFCD00005458 InChI Key: SMJRBWINMFUUDS-UHFFFAOYSA-N Synonym: 2-thiopheneacetic acid,2-thienylacetic acid,thiopheneacetic acid,2-thiophen-2-yl acetic acid,thiophene-2-acetic acid,2-2-thienyl acetic acid,2-thiophene acetic acid,thiophen-2-ylacetic acid,thien-2-yl acetic acid,2-carboxymethyl thiophene PubChem CID: 15970 ChEBI: CHEBI:45807 IUPAC Name: 2-thiophen-2-ylacetic acid SMILES: C1=CSC(=C1)CC(=O)O

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Specifications

PubChem CID	15970
CAS	1918-77-0
ChEBI	CHEBI:45807
MDL Number	MFCD00005458
SMILES	C1=CSC(=C1)CC(=O)O
Synonym	2-thiopheneacetic acid,2-thienylacetic acid,thiopheneacetic acid,2-thiophen-2-yl acetic acid,thiophene-2-acetic acid,2-2-thienyl acetic acid,2-thiophene acetic acid,thiophen-2-ylacetic acid,thien-2-yl acetic acid,2-carboxymethyl thiophene
IUPAC Name	2-thiophen-2-ylacetic acid
InChI Key	SMJRBWINMFUUDS-UHFFFAOYSA-N

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Furfuryl acetate, 97%

CAS: 623-17-6 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00003251 InChI Key: CKOYRRWBOKMNRG-UHFFFAOYSA-N Synonym: furfuryl acetate,2-furanmethanol, acetate,2-furanmethanol acetate,2-acetoxymethylfuran,furfuryl alcohol, acetate,acetic acid furfurylester,acetic acid furfuryl ester,2-furanmethyl acetate,2-furfuryl acetate,2-furylmethyl acetate PubChem CID: 12170 IUPAC Name: furan-2-ylmethyl acetate SMILES: CC(=O)OCC1=CC=CO1

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PubChem CID	12170
CAS	623-17-6
Molecular Weight (g/mol)	140.138
MDL Number	MFCD00003251
SMILES	CC(=O)OCC1=CC=CO1
Synonym	furfuryl acetate,2-furanmethanol, acetate,2-furanmethanol acetate,2-acetoxymethylfuran,furfuryl alcohol, acetate,acetic acid furfurylester,acetic acid furfuryl ester,2-furanmethyl acetate,2-furfuryl acetate,2-furylmethyl acetate
IUPAC Name	furan-2-ylmethyl acetate
InChI Key	CKOYRRWBOKMNRG-UHFFFAOYSA-N
Molecular Formula	C7H8O3

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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

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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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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

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Quinoline, 96%

CAS: 91-22-5 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006736,MFCD06637409,MFCD31699982,MFCD31699983,MFCD31699984,MFCD31699985,MFCD31699986,MFCD31699987 InChI Key: SMWDFEZZVXVKRB-UHFFFAOYSA-N Synonym: chinolin,chinoline,1-benzazine,quinolin,1-azanaphthalene,chinoleine,leucol,benzo b pyridine,benzopyridine,leukol PubChem CID: 7047 ChEBI: CHEBI:17362 IUPAC Name: quinoline SMILES: C1=CC=C2N=CC=CC2=C1

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Specifications

PubChem CID	7047
CAS	91-22-5
Molecular Weight (g/mol)	129.16
ChEBI	CHEBI:17362
MDL Number	MFCD00006736,MFCD06637409,MFCD31699982,MFCD31699983,MFCD31699984,MFCD31699985,MFCD31699986,MFCD31699987
SMILES	C1=CC=C2N=CC=CC2=C1
Synonym	chinolin,chinoline,1-benzazine,quinolin,1-azanaphthalene,chinoleine,leucol,benzo b pyridine,benzopyridine,leukol
IUPAC Name	quinoline
InChI Key	SMWDFEZZVXVKRB-UHFFFAOYSA-N
Molecular Formula	C9H7N

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2-Amino-5-phenyl-1,3,4-thiadiazole, 97%

CAS: 2002-03-1 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00205278 InChI Key: KTWDTPBHCWJWGJ-UHFFFAOYSA-N Synonym: 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine,2-amino-5-4-pyridyl-1,3,4-thiadiazole,2-amino-5-4-pyridinyl-1,3,4-thiadiazole,5-4-pyridyl-1,3,4-thiadiazol-2-amine,5-pyridin-4-yl-1,3,4 thiadiazol-2-ylamine,2-amino-5-pyridin-4-yl-1,3,4-thiadiazole,pyridine, 4-2-amino-1,3,4-thiadiazol-5-yl,4-2-amino-1,3,4-thiadiazol-5-yl pyridine,2-amino-5-4-piridil-1,3,4-tiadiazolo,5-4-pyridyl-1,3,4-thiazol-2-yl-amine PubChem CID: 121269 IUPAC Name: 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine SMILES: C1=CN=CC=C1C2=NN=C(S2)N

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Specifications

PubChem CID	121269
CAS	2002-03-1
Molecular Weight (g/mol)	178.21
MDL Number	MFCD00205278
SMILES	C1=CN=CC=C1C2=NN=C(S2)N
Synonym	5-pyridin-4-yl-1,3,4-thiadiazol-2-amine,2-amino-5-4-pyridyl-1,3,4-thiadiazole,2-amino-5-4-pyridinyl-1,3,4-thiadiazole,5-4-pyridyl-1,3,4-thiadiazol-2-amine,5-pyridin-4-yl-1,3,4 thiadiazol-2-ylamine,2-amino-5-pyridin-4-yl-1,3,4-thiadiazole,pyridine, 4-2-amino-1,3,4-thiadiazol-5-yl,4-2-amino-1,3,4-thiadiazol-5-yl pyridine,2-amino-5-4-piridil-1,3,4-tiadiazolo,5-4-pyridyl-1,3,4-thiazol-2-yl-amine
IUPAC Name	5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
InChI Key	KTWDTPBHCWJWGJ-UHFFFAOYSA-N
Molecular Formula	C7H6N4S

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3-(2-Furyl)acrylic acid, 99%

CAS: 539-47-9 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003257,MFCD11656544 InChI Key: ZCJLOOJRNPHKAV-ONEGZZNKSA-N Synonym: 3-2-furyl acrylic acid,e-3-furan-2-yl acrylic acid,2-furanacrylic acid,3-furan-2-yl acrylic acid,furanacrylic acid,2-furalacetic acid,furacrylic acid,furylacrylic acid,2e-3-furan-2-yl prop-2-enoic acid,2-propenoic acid, 3-2-furanyl PubChem CID: 643402 SMILES: OC(=O)\C=C\C1=CC=CO1

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Specifications

PubChem CID	643402
CAS	539-47-9
Molecular Weight (g/mol)	138.12
MDL Number	MFCD00003257,MFCD11656544
SMILES	OC(=O)\C=C\C1=CC=CO1
Synonym	3-2-furyl acrylic acid,e-3-furan-2-yl acrylic acid,2-furanacrylic acid,3-furan-2-yl acrylic acid,furanacrylic acid,2-furalacetic acid,furacrylic acid,furylacrylic acid,2e-3-furan-2-yl prop-2-enoic acid,2-propenoic acid, 3-2-furanyl
InChI Key	ZCJLOOJRNPHKAV-ONEGZZNKSA-N
Molecular Formula	C7H6O3

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Indole, 99+%

CAS: 120-72-9 MDL Number: MFCD00005607 InChI Key: SIKJAQJRHWYJAI-UHFFFAOYSA-N Synonym: indole,indol,2,3-benzopyrrole,1-benzazole,ketole,1-azaindene,benzopyrrole,2,3-benzopyrole,caswell no. 498b,indol german PubChem CID: 798 ChEBI: CHEBI:16881 IUPAC Name: 1H-indole SMILES: C1=CC=C2C(=C1)C=CN2

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Specifications

PubChem CID	798
CAS	120-72-9
ChEBI	CHEBI:16881
MDL Number	MFCD00005607
SMILES	C1=CC=C2C(=C1)C=CN2
Synonym	indole,indol,2,3-benzopyrrole,1-benzazole,ketole,1-azaindene,benzopyrrole,2,3-benzopyrole,caswell no. 498b,indol german
IUPAC Name	1H-indole
InChI Key	SIKJAQJRHWYJAI-UHFFFAOYSA-N

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3-Methyl-5-phenyl-1H-pyrazole, Thermo Scientific Chemicals

CAS: 3347-62-4 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00022385,MFCD00524752 InChI Key: QHRSESMSOJZMCO-UHFFFAOYSA-N PubChem CID: 18774 IUPAC Name: 5-methyl-3-phenyl-1H-pyrazole SMILES: CC1=CC(=NN1)C1=CC=CC=C1

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Specifications

PubChem CID	18774
CAS	3347-62-4
Molecular Weight (g/mol)	158.20
MDL Number	MFCD00022385,MFCD00524752
SMILES	CC1=CC(=NN1)C1=CC=CC=C1
IUPAC Name	5-methyl-3-phenyl-1H-pyrazole
InChI Key	QHRSESMSOJZMCO-UHFFFAOYSA-N
Molecular Formula	C10H10N2

Heteroaromatic compounds

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