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

4,6-Dimethyldibenzothiophene, 95%

CAS: 1207-12-1 Molecular Formula: C14H12S Molecular Weight (g/mol): 212.31 MDL Number: MFCD00216264 InChI Key: KMPJENUWHPZRGZ-UHFFFAOYSA-N Synonym: dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene PubChem CID: 1268103 IUPAC Name: 4,6-dimethyldibenzothiophene SMILES: CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1

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Specifications

PubChem CID	1268103
CAS	1207-12-1
Molecular Weight (g/mol)	212.31
MDL Number	MFCD00216264
SMILES	CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1
Synonym	dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene
IUPAC Name	4,6-dimethyldibenzothiophene
InChI Key	KMPJENUWHPZRGZ-UHFFFAOYSA-N
Molecular Formula	C14H12S

3-n-Hexadecylthiophene, 97%

CAS: 119269-24-8 Molecular Formula: C20H36S Molecular Weight (g/mol): 308.57 MDL Number: MFCD07368973 InChI Key: FRVZSODZVJPMKO-UHFFFAOYSA-N Synonym: 3-n-hexadecylthiophene,thiophene, 3-hexadecyl,3-hexadecyl-thiophene,ksc173e6j,acmc-1c275 PubChem CID: 2769638 IUPAC Name: 3-hexadecylthiophene SMILES: CCCCCCCCCCCCCCCCC1=CSC=C1

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Specifications

PubChem CID	2769638
CAS	119269-24-8
Molecular Weight (g/mol)	308.57
MDL Number	MFCD07368973
SMILES	CCCCCCCCCCCCCCCCC1=CSC=C1
Synonym	3-n-hexadecylthiophene,thiophene, 3-hexadecyl,3-hexadecyl-thiophene,ksc173e6j,acmc-1c275
IUPAC Name	3-hexadecylthiophene
InChI Key	FRVZSODZVJPMKO-UHFFFAOYSA-N
Molecular Formula	C20H36S

8-Methylquinoline, 97%

CAS: 611-32-5 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006810 InChI Key: JRLTTZUODKEYDH-UHFFFAOYSA-N Synonym: quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888 PubChem CID: 11910 ChEBI: CHEBI:48984 IUPAC Name: 8-methylquinoline SMILES: CC1=C2N=CC=CC2=CC=C1

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Specifications

PubChem CID	11910
CAS	611-32-5
Molecular Weight (g/mol)	143.19
ChEBI	CHEBI:48984
MDL Number	MFCD00006810
SMILES	CC1=C2N=CC=CC2=CC=C1
Synonym	quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888
IUPAC Name	8-methylquinoline
InChI Key	JRLTTZUODKEYDH-UHFFFAOYSA-N
Molecular Formula	C10H9N

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

3-(2-Furyl)propionic acid, 97%

CAS: 935-13-7 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00005346 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)	140.138
MDL Number	MFCD00005346
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

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

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

5-Aminobenzothiazole, 96%

CAS: 1123-93-9 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD04115282 InChI Key: UJZYHMZRXGNDFB-UHFFFAOYSA-N Synonym: 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole PubChem CID: 70749 IUPAC Name: 1,3-benzothiazol-5-amine SMILES: NC1=CC=C2SC=NC2=C1

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Specifications

PubChem CID	70749
CAS	1123-93-9
Molecular Weight (g/mol)	150.20
MDL Number	MFCD04115282
SMILES	NC1=CC=C2SC=NC2=C1
Synonym	5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole
IUPAC Name	1,3-benzothiazol-5-amine
InChI Key	UJZYHMZRXGNDFB-UHFFFAOYSA-N
Molecular Formula	C7H6N2S

3-Cyanopyridazine, 97%

CAS: 53896-49-4 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.1 MDL Number: MFCD09881239 InChI Key: PJESVVYWPFAJCS-UHFFFAOYSA-N Synonym: 3-cyanopyridazine,3-pyridazinecarbonitrile,3-cyano-1,2-diazine,pyridazine-3-carbonitrile PubChem CID: 13642940 IUPAC Name: pyridazine-3-carbonitrile SMILES: C1=CC(=NN=C1)C#N

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Specifications

PubChem CID	13642940
CAS	53896-49-4
Molecular Weight (g/mol)	105.1
MDL Number	MFCD09881239
SMILES	C1=CC(=NN=C1)C#N
Synonym	3-cyanopyridazine,3-pyridazinecarbonitrile,3-cyano-1,2-diazine,pyridazine-3-carbonitrile
IUPAC Name	pyridazine-3-carbonitrile
InChI Key	PJESVVYWPFAJCS-UHFFFAOYSA-N
Molecular Formula	C5H3N3

3,5-Diphenylpyrazole, 99%

CAS: 1145-01-3 Molecular Formula: C15H12N2 Molecular Weight (g/mol): 220.28 MDL Number: MFCD00039675 InChI Key: JXHKUYQCEJILEI-UHFFFAOYSA-N Synonym: 3,5-diphenylpyrazole,1h-pyrazole, 3,5-diphenyl,pyrazole, 3,5-diphenyl,pyrazole,5-diphenyl,acmc-1bufo,1h-pyrazole,5-diphenyl,cbmicro_048085,3,5-diphenyl pyrazole,3,5-diphenyl-1h-pyrazole 5g PubChem CID: 70840 IUPAC Name: 3,5-diphenyl-1H-pyrazole SMILES: N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	70840
CAS	1145-01-3
Molecular Weight (g/mol)	220.28
MDL Number	MFCD00039675
SMILES	N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1
Synonym	3,5-diphenylpyrazole,1h-pyrazole, 3,5-diphenyl,pyrazole, 3,5-diphenyl,pyrazole,5-diphenyl,acmc-1bufo,1h-pyrazole,5-diphenyl,cbmicro_048085,3,5-diphenyl pyrazole,3,5-diphenyl-1h-pyrazole 5g
IUPAC Name	3,5-diphenyl-1H-pyrazole
InChI Key	JXHKUYQCEJILEI-UHFFFAOYSA-N
Molecular Formula	C15H12N2

2,3-Dimethylthiophene, 97%

CAS: 632-16-6 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD00130081 InChI Key: BZYUMXXOAYSFOW-UHFFFAOYSA-N Synonym: thiophene, 2,3-dimethyl,2,3-dimethyl-thiophene,2,3,dimethylthiophene,pubchem7751,2.3-dimethylthiophene,dimethylthiophene,2,3-dirnethylthiophene PubChem CID: 34295 IUPAC Name: 2,3-dimethylthiophene SMILES: CC1=C(C)C=CS1

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Specifications

PubChem CID	34295
CAS	632-16-6
Molecular Weight (g/mol)	112.19
MDL Number	MFCD00130081
SMILES	CC1=C(C)C=CS1
Synonym	thiophene, 2,3-dimethyl,2,3-dimethyl-thiophene,2,3,dimethylthiophene,pubchem7751,2.3-dimethylthiophene,dimethylthiophene,2,3-dirnethylthiophene
IUPAC Name	2,3-dimethylthiophene
InChI Key	BZYUMXXOAYSFOW-UHFFFAOYSA-N
Molecular Formula	C6H8S

3-Methylfuran, 98%

CAS: 930-27-8 Molecular Formula: C₅H₆O Molecular Weight (g/mol): 82.1 MDL Number: MFCD00060134 InChI Key: KJRRQXYWFQKJIP-UHFFFAOYSA-N Synonym: furan, 3-methyl,3-methylfurane,3-methyl furan,3-methyl-furan,3-methyl-fura,3-methylfuran,pubchem19993,3-methylfuran-methyl-d3,acmc-20an04,3-methylfuran 1gr PubChem CID: 13587 IUPAC Name: 3-methylfuran SMILES: CC1=COC=C1

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Specifications

PubChem CID	13587
CAS	930-27-8
Molecular Weight (g/mol)	82.1
MDL Number	MFCD00060134
SMILES	CC1=COC=C1
Synonym	furan, 3-methyl,3-methylfurane,3-methyl furan,3-methyl-furan,3-methyl-fura,3-methylfuran,pubchem19993,3-methylfuran-methyl-d3,acmc-20an04,3-methylfuran 1gr
IUPAC Name	3-methylfuran
InChI Key	KJRRQXYWFQKJIP-UHFFFAOYSA-N
Molecular Formula	C₅H₆O

Heteroaromatic compounds

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