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Benzothiophenes
Description:
Organic compounds containing a benzene fused to a thiepine ring (a five-membered ring with six carbon atoms and one sulfur atom).
Ancestors:
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7-(Bromomethyl)benzo[b]thiopheneFormula: C9H7BrS Molecular Weight: 227.12IUPAC Name: 7-(bromomethyl)-1-benzothiopheneSMILES: C1=CC2=C(C(=C1)CBr)SC=C2InChIKey: CBWUJYGWPDPIFY-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2 -
6-Methoxybenzo[b]thiophene-2-carboxylic acidCas Number: 102539-79-7 Compound CID: 20493709Formula: C10H8O3S Molecular Weight: 208.23IUPAC Name: 6-methoxy-1-benzothiophene-2-carboxylic acidSMILES: COC1=CC2=C(C=C1)C=C(S2)C(=O)OInChIKey: XTXMOIBADXDEKF-UHFFFAOYSA-NInChI: InChI=1S/C10H8O3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12)
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6-Chlorobenzo[b]thiophene-2-carboxylic acidCas Number: 26018-73-5 Compound CID: 7141919Formula: C9H5ClO2S Molecular Weight: 212.66IUPAC Name: 6-chloro-1-benzothiophene-2-carboxylic acidSMILES: C1=CC2=C(C=C1Cl)SC(=C2)C(=O)OInChIKey: AVAGKGZNBMZOLD-UHFFFAOYSA-NInChI: InChI=1S/C9H5ClO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
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5-Fluorobenzothiophene-2-Boronic AcidCas Number: 501944-42-9 Compound CID: 53234193Formula: C8H6BFO2S Molecular Weight: 196.01IUPAC Name: (5-fluoro-1-benzothiophen-2-yl)boronic acidSMILES: B(C1=CC2=C(S1)C=CC(=C2)F)(O)OInChIKey: DGEAJPZHUYFBGZ-UHFFFAOYSA-NInChI: InChI=1S/C8H6BFO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
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5-(Bromomethyl)benzo[b]thiopheneCas Number: 10133-22-9 Compound CID: 11160498Formula: C9H7BrS Molecular Weight: 227.12IUPAC Name: 5-(bromomethyl)-1-benzothiopheneSMILES: C1=CC2=C(C=CS2)C=C1CBrInChIKey: FOQVMHRXEHFCNW-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6H2
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4-Fluorobenzo[b]thiopheneCas Number: 310466-38-7 Compound CID: 19088017Formula: C8H5FS Molecular Weight: 152.19IUPAC Name: 4-fluoro-1-benzothiopheneSMILES: C1=CC(=C2C=CSC2=C1)FInChIKey: AOIWFWNSLJDPSZ-UHFFFAOYSA-NInChI: InChI=1S/C8H5FS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
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(1-Benzothiophen-4-yl)methanolCas Number: 51830-54-7 Compound CID: 14919040IUPAC Name: 1-benzothiophen-4-ylmethanolSMILES: C1=CC(=C2C=CSC2=C1)COInChIKey: CCSZLLVNXGKALH-UHFFFAOYSA-NInChI: InChI=1S/C9H8OS/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,10H,6H2
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(1-Benzothiophen-4-yl)boronic acidCas Number: 177735-30-7 Compound CID: 21838068Formula: C8H7BO2S Molecular Weight: 178.02IUPAC Name: 1-benzothiophen-4-ylboronic acidSMILES: B(C1=C2C=CSC2=CC=C1)(O)OInChIKey: CVFRBXCMTNBDBI-UHFFFAOYSA-NInChI: InChI=1S/C8H7BO2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5,10-11H
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4-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acidCas Number: 826995-55-5 Compound CID: 21841163Formula: C10H5F3O2S Molecular Weight: 246.21IUPAC Name: 4-(trifluoromethyl)-1-benzothiophene-2-carboxylic acidSMILES: C1=CC(=C2C=C(SC2=C1)C(=O)O)C(F)(F)FInChIKey: BVVNCWBGCFGVAU-UHFFFAOYSA-NInChI: InChI=1S/C10H5F3O2S/c11-10(12,13)6-2-1-3-7-5(6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
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3-(BROMOMETHYL)BENZO[B]THIOPHENECas Number: 1196-19-6 Compound CID: 11264641Formula: C9H7BrS Molecular Weight: 227.12IUPAC Name: 3-(bromomethyl)-1-benzothiopheneSMILES: C1=CC=C2C(=C1)C(=CS2)CBrInChIKey: WYKHJZSILIVQKU-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5H2
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2-Methylbenzo[b]thiophene-3-carbaldehydeCas Number: 30446-99-2 Compound CID: 3775467Formula: C10H8OS Molecular Weight: 176.23IUPAC Name: 2-methyl-1-benzothiophene-3-carbaldehydeSMILES: CC1=C(C2=CC=CC=C2S1)C=OInChIKey: GDAUIGNXYBQHNU-UHFFFAOYSA-NInChI: InChI=1S/C10H8OS/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
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2-Amino-6-chlorobenzo[b]thiophene-3-carbonitrileCas Number: 221061-10-5 Compound CID: 18422315Formula: C9H5ClN2S Molecular Weight: 208.67IUPAC Name: 2-amino-6-chloro-1-benzothiophene-3-carbonitrileSMILES: C1=CC2=C(C=C1Cl)SC(=C2C#N)NInChIKey: QQPPEPAITIGSDB-UHFFFAOYSA-NInChI: InChI=1S/C9H5ClN2S/c10-5-1-2-6-7(4-11)9(12)13-8(6)3-5/h1-3H,12H2
