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-Hexylfuran, 97%

CAS: 3777-70-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00053134 InChI Key: XBLCAKKYMZVLPU-UHFFFAOYSA-N Synonym: 2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja PubChem CID: 77408 IUPAC Name: 2-hexylfuran SMILES: CCCCCCC1=CC=CO1

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Specifications

PubChem CID	77408
CAS	3777-70-6
Molecular Weight (g/mol)	152.237
MDL Number	MFCD00053134
SMILES	CCCCCCC1=CC=CO1
Synonym	2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja
IUPAC Name	2-hexylfuran
InChI Key	XBLCAKKYMZVLPU-UHFFFAOYSA-N
Molecular Formula	C10H16O

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Diethyl pyrazole-3,5-dicarboxylate, 99%, Thermo Scientific Chemicals

CAS: 37687-24-4 Molecular Formula: C9H12N2O4 Molecular Weight (g/mol): 212.21 MDL Number: MFCD00152167 InChI Key: MBWXLICVQZUJOW-UHFFFAOYSA-N Synonym: diethyl 3,5-pyrazoledicarboxylate,diethyl pyrazole-3,5-dicarboxylate,3,5-diethoxycarbonylpyrazole,1h-pyrazole-3,5-dicarboxylic acid diethyl ester,3,5-pyrazoledicarboxylic acid diethyl ester,3,5-diethyl 1h-pyrazole-3,5-dicarboxylate,1h-pyrazole-3,5-dicarboxylic acid, diethyl ester,zlchem 861,pubchem22955,acmc-1aj76 PubChem CID: 142184 IUPAC Name: diethyl 1H-pyrazole-3,5-dicarboxylate SMILES: CCOC(=O)C1=CC(=NN1)C(=O)OCC

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Specifications

PubChem CID	142184
CAS	37687-24-4
Molecular Weight (g/mol)	212.21
MDL Number	MFCD00152167
SMILES	CCOC(=O)C1=CC(=NN1)C(=O)OCC
Synonym	diethyl 3,5-pyrazoledicarboxylate,diethyl pyrazole-3,5-dicarboxylate,3,5-diethoxycarbonylpyrazole,1h-pyrazole-3,5-dicarboxylic acid diethyl ester,3,5-pyrazoledicarboxylic acid diethyl ester,3,5-diethyl 1h-pyrazole-3,5-dicarboxylate,1h-pyrazole-3,5-dicarboxylic acid, diethyl ester,zlchem 861,pubchem22955,acmc-1aj76
IUPAC Name	diethyl 1H-pyrazole-3,5-dicarboxylate
InChI Key	MBWXLICVQZUJOW-UHFFFAOYSA-N
Molecular Formula	C9H12N2O4

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2-Thiophenecarbonitrile, 97%

CAS: 1003-31-2 Molecular Formula: C₅H₃NS Molecular Weight (g/mol): 109.15 MDL Number: MFCD00005416 InChI Key: CUPOOAWTRIURFT-UHFFFAOYSA-N Synonym: 2-thiophenecarbonitrile,2-cyanothiophene,2-thiophene carbonitrile,2-thenylcyanide,thiophenecarbonitrile,2-thienonitrile,2-thenonitrile,2-thiophenenitrile,2-cyano-thiophene,2-thienylcarbonitrile PubChem CID: 66087 IUPAC Name: thiophene-2-carbonitrile SMILES: C1=CSC(=C1)C#N

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Specifications

PubChem CID	66087
CAS	1003-31-2
Molecular Weight (g/mol)	109.15
MDL Number	MFCD00005416
SMILES	C1=CSC(=C1)C#N
Synonym	2-thiophenecarbonitrile,2-cyanothiophene,2-thiophene carbonitrile,2-thenylcyanide,thiophenecarbonitrile,2-thienonitrile,2-thenonitrile,2-thiophenenitrile,2-cyano-thiophene,2-thienylcarbonitrile
IUPAC Name	thiophene-2-carbonitrile
InChI Key	CUPOOAWTRIURFT-UHFFFAOYSA-N
Molecular Formula	C₅H₃NS

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3-(2-Thienyl)propanoic acid, 98%

CAS: 5928-51-8 Molecular Formula: C₇H₈O₂S Molecular Weight (g/mol): 156.2 MDL Number: MFCD00047093 InChI Key: MJPVYTKZYZPIQA-UHFFFAOYSA-N Synonym: 3-2-thienyl propanoic acid,3-2-thienyl propionic acid,2-thiophenepropanoic acid,3-thiophen-2-yl propanoic acid,2-thiophenepropionic acid,maybridge3_005592,3-2-thienyl propionic pound inverted question markacid,3-thiophen-2-yl-propionic acid,thiolpropionic acid,pubchem23928 PubChem CID: 703169 IUPAC Name: 3-thiophen-2-ylpropanoic acid SMILES: C1=CSC(=C1)CCC(=O)O

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Specifications

PubChem CID	703169
CAS	5928-51-8
Molecular Weight (g/mol)	156.2
MDL Number	MFCD00047093
SMILES	C1=CSC(=C1)CCC(=O)O
Synonym	3-2-thienyl propanoic acid,3-2-thienyl propionic acid,2-thiophenepropanoic acid,3-thiophen-2-yl propanoic acid,2-thiophenepropionic acid,maybridge3_005592,3-2-thienyl propionic pound inverted question markacid,3-thiophen-2-yl-propionic acid,thiolpropionic acid,pubchem23928
IUPAC Name	3-thiophen-2-ylpropanoic acid
InChI Key	MJPVYTKZYZPIQA-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂S

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3-(2-Furyl)propanoic acid, 98%

CAS: 935-13-7 Molecular Formula: C₇H₈O₃ Molecular Weight (g/mol): 140.14 InChI Key: XLTJXJJMUFDQEZ-UHFFFAOYSA-N Synonym: 3-furan-2-yl propanoic acid,3-2-furyl propanoic acid,2-furanpropanoic acid,2-furanpropionic acid,3-2-furyl propionic acid,3-furan-2-yl-propionic acid,furan-2-propionic acid,3-2-furyl propoinic acid,furfuryl-essigsaure,furfurylacetic acid PubChem CID: 70286 IUPAC Name: 3-(furan-2-yl)propanoic acid SMILES: C1=COC(=C1)CCC(=O)O

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Specifications

PubChem CID	70286
CAS	935-13-7
Molecular Weight (g/mol)	140.14
SMILES	C1=COC(=C1)CCC(=O)O
Synonym	3-furan-2-yl propanoic acid,3-2-furyl propanoic acid,2-furanpropanoic acid,2-furanpropionic acid,3-2-furyl propionic acid,3-furan-2-yl-propionic acid,furan-2-propionic acid,3-2-furyl propoinic acid,furfuryl-essigsaure,furfurylacetic acid
IUPAC Name	3-(furan-2-yl)propanoic acid
InChI Key	XLTJXJJMUFDQEZ-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₃

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2,5-Dimethylindole, 97%

CAS: 1196-79-8 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00005621 InChI Key: ZFLFWZRPMDXJCW-UHFFFAOYSA-N Synonym: 2,5-dimethylindole,1h-indole, 2,5-dimethyl,indole, 2,5-dimethyl,unii-etu94v283m,2,5-dimethyl indole,pubchem7330,acmc-1bvpm PubChem CID: 70965 IUPAC Name: 2,5-dimethyl-1H-indole SMILES: CC1=CC2=C(C=C1)NC(=C2)C

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Specifications

PubChem CID	70965
CAS	1196-79-8
Molecular Weight (g/mol)	145.205
MDL Number	MFCD00005621
SMILES	CC1=CC2=C(C=C1)NC(=C2)C
Synonym	2,5-dimethylindole,1h-indole, 2,5-dimethyl,indole, 2,5-dimethyl,unii-etu94v283m,2,5-dimethyl indole,pubchem7330,acmc-1bvpm
IUPAC Name	2,5-dimethyl-1H-indole
InChI Key	ZFLFWZRPMDXJCW-UHFFFAOYSA-N
Molecular Formula	C10H11N

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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	1 H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

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2-Thiopheneethanol, 98%

CAS: 5402-55-1 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00005462 InChI Key: VMJOFTHFJMLIKL-UHFFFAOYSA-N Synonym: 2-thiopheneethanol,2-2-thienyl ethanol,thiophene-2-ethanol,2-thiophen-2-yl ethanol,2-2-hydroxyethyl thiophene,2-thiophen-2-yl ethan-1-ol,ethanol, 2-2-thienyl,2-thiophenethanol,2-2-thienyl-ethanol,2-thienylethanol PubChem CID: 79400 IUPAC Name: 2-thiophen-2-ylethanol SMILES: OCCC1=CC=CS1

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Specifications

PubChem CID	79400
CAS	5402-55-1
Molecular Weight (g/mol)	128.19
MDL Number	MFCD00005462
SMILES	OCCC1=CC=CS1
Synonym	2-thiopheneethanol,2-2-thienyl ethanol,thiophene-2-ethanol,2-thiophen-2-yl ethanol,2-2-hydroxyethyl thiophene,2-thiophen-2-yl ethan-1-ol,ethanol, 2-2-thienyl,2-thiophenethanol,2-2-thienyl-ethanol,2-thienylethanol
IUPAC Name	2-thiophen-2-ylethanol
InChI Key	VMJOFTHFJMLIKL-UHFFFAOYSA-N
Molecular Formula	C6H8OS

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4-(2-Thienyl)butyric acid, 98%

CAS: 4653-11-6 MDL Number: MFCD00005463

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Specifications

CAS	4653-11-6
MDL Number	MFCD00005463

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3-(3-Furyl)acrylic acid, 98%

CAS: 39244-10-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00075074 InChI Key: JHAPZUDWRRBZHZ-UHFFFAOYSA-N Synonym: 3-3-furyl acrylic acid,3-furan-3-yl acrylic acid,trans-3-furanacrylic acid,e-3-furan-3-yl acrylic acid,2-propenoic acid, 3-3-furanyl-, 2e,2e-3-3-furyl prop-2-enoic acid,2e-3-furan-3-yl prop-2-enoic acid,3-3-furanyl-2-propenoic acid,2e-3-3-furyl acrylic acid,furan-3-acrylic acid PubChem CID: 643403 IUPAC Name: (E)-3-(furan-3-yl)prop-2-enoic acid SMILES: OC(=O)C=CC1=COC=C1

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Specifications

PubChem CID	643403
CAS	39244-10-5
Molecular Weight (g/mol)	138.12
MDL Number	MFCD00075074
SMILES	OC(=O)C=CC1=COC=C1
Synonym	3-3-furyl acrylic acid,3-furan-3-yl acrylic acid,trans-3-furanacrylic acid,e-3-furan-3-yl acrylic acid,2-propenoic acid, 3-3-furanyl-, 2e,2e-3-3-furyl prop-2-enoic acid,2e-3-furan-3-yl prop-2-enoic acid,3-3-furanyl-2-propenoic acid,2e-3-3-furyl acrylic acid,furan-3-acrylic acid
IUPAC Name	(E)-3-(furan-3-yl)prop-2-enoic acid
InChI Key	JHAPZUDWRRBZHZ-UHFFFAOYSA-N
Molecular Formula	C7H6O3

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3-Furaldehyde diethyl acetal, 98%, Thermo Scientific Chemicals

CAS: 216144-29-5 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD01318151 InChI Key: MTZMXGCDOYBCPN-UHFFFAOYSA-N Synonym: 3-diethoxymethyl furan,3-furaldehyde diethyl acetal,furan,3-diethoxymethyl,diethoxy-3-furylmethane,acmc-1ckie PubChem CID: 7006657 IUPAC Name: 3-(diethoxymethyl)furan SMILES: CCOC(OCC)C1=COC=C1

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Specifications

PubChem CID	7006657
CAS	216144-29-5
Molecular Weight (g/mol)	170.21
MDL Number	MFCD01318151
SMILES	CCOC(OCC)C1=COC=C1
Synonym	3-diethoxymethyl furan,3-furaldehyde diethyl acetal,furan,3-diethoxymethyl,diethoxy-3-furylmethane,acmc-1ckie
IUPAC Name	3-(diethoxymethyl)furan
InChI Key	MTZMXGCDOYBCPN-UHFFFAOYSA-N
Molecular Formula	C9H14O3

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Thiophene, 99%

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

Heteroaromatic compounds

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