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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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4-Methylbenzo[b]thiophene-2-carboxylic acidCas Number: 1735-13-3 Compound CID: 605988Formula: C10H8O2S Molecular Weight: 192.24IUPAC Name: 4-methyl-1-benzothiophene-2-carboxylic acidSMILES: CC1=C2C=C(SC2=CC=C1)C(=O)OInChIKey: OCANRQFAJMJHTR-UHFFFAOYSA-NInChI: InChI=1S/C10H8O2S/c1-6-3-2-4-8-7(6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12) -
4-Fluorobenzo[b]thiophene-2-carboxylic acidCas Number: 310466-37-6Formula: C9H5FO2S Molecular Weight: 196.20IUPAC Name: 4-fluoro-1-benzothiophene-2-carboxylic acidSMILES: C1=CC(=C2C=C(SC2=C1)C(=O)O)FInChIKey: ZKADPMNICCXSRV-UHFFFAOYSA-NInChI: InChI=1S/C9H5FO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
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2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine hydrochlorideCas Number: 22964-00-7 Compound CID: 89947Formula: C10H11BrClNS Molecular Weight: 292.63IUPAC Name: 2-(5-bromo-1-benzothiophen-3-yl)ethanamine;hydrochlorideSMILES: C1=CC2=C(C=C1Br)C(=CS2)CCN.ClInChIKey: OEAWWTFUTOCGLS-UHFFFAOYSA-NInChI: InChI=1S/C10H10BrNS.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6H,3-4,12H2;1H
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2-(5-Bromo-2-fluorobenzyl)benzo[b]thiopheneCas Number: 1034305-17-3 Compound CID: 66608287Formula: C15H10BrFS Molecular Weight: 321.21IUPAC Name: 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiopheneSMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)Br)FInChIKey: IKGTVOQAJKYBGO-UHFFFAOYSA-NInChI: InChI=1S/C15H10BrFS/c16-12-5-6-14(17)11(7-12)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
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2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrileCas Number: 23799-60-2 Compound CID: 2779861Formula: C10H6ClNS Molecular Weight: 207.68IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)acetonitrileSMILES: C1=CC2=C(C=C1Cl)C(=CS2)CC#NInChIKey: JTPXNKOVUOJIKL-UHFFFAOYSA-NInChI: InChI=1S/C10H6ClNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3H2
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2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)acetic acidCas Number: 51527-19-6 Compound CID: 68686Formula: C11H9ClO2S Molecular Weight: 240.71IUPAC Name: 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acidSMILES: CC1=C(SC2=C1C=C(C=C2)Cl)CC(=O)OInChIKey: QNJIHQOPIPJYLU-UHFFFAOYSA-NInChI: InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)Synonyms: Tianafac
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1-(3-Chlorobenzo[b]thiophen-2-yl)-N-methylmethanamine hydrochlorideCas Number: 132740-14-8 Compound CID: 14690819Formula: C10H11Cl2NS Molecular Weight: 248.17IUPAC Name: 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine;hydrochlorideSMILES: CNCC1=C(C2=CC=CC=C2S1)Cl.ClInChIKey: PMEJFFOMRHLMJM-UHFFFAOYSA-NInChI: InChI=1S/C10H10ClNS.ClH/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9;/h2-5,12H,6H2,1H3;1H
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1-Benzothiophene-5-carbonitrileCas Number: 2060-63-1 Compound CID: 2795452Formula: C9H5NS Molecular Weight: 159.21IUPAC Name: 1-benzothiophene-5-carbonitrileSMILES: C1=CC2=C(C=CS2)C=C1C#NInChIKey: IPJUOWGTGHKFKN-UHFFFAOYSA-NInChI: InChI=1S/C9H5NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
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1-Benzothiophen-3-ylmethanolCas Number: 5381-24-8 Compound CID: 2776342Formula: C9H8OS Molecular Weight: 164.23IUPAC Name: 1-benzothiophen-3-ylmethanolSMILES: C1=CC=C2C(=C1)C(=CS2)COInChIKey: UYGMKSKKGSUAHB-UHFFFAOYSA-NInChI: InChI=1S/C9H8OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2
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1-(5-Bromo-1-benzothien-3-yl)ethanoneCas Number: 1423-63-8 Compound CID: 617836Formula: C10H7BrOS Molecular Weight: 255.13IUPAC Name: 1-(5-bromo-1-benzothiophen-3-yl)ethanoneSMILES: CC(=O)C1=CSC2=C1C=C(C=C2)BrInChIKey: IRGMTUHYELTYEG-UHFFFAOYSA-NInChI: InChI=1S/C10H7BrOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-5H,1H3
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(R)-4-(Benzo[b]thiophen-3-yl)-3-((tert-butoxycarbonyl)amino)butanoic acidCas Number: 190190-48-8 Compound CID: 7009776Formula: C17H21NO4S Molecular Weight: 335.43IUPAC Name: (3R)-4-(1-benzothiophen-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acidSMILES: CC(C)(C)OC(=O)NC(CC1=CSC2=CC=CC=C21)CC(=O)OInChIKey: VRUFHPBCNHYEPJ-GFCCVEGCSA-NInChI: InChI=1S/C17H21NO4S/c1-17(2,3)22-16(21)18-12(9-15(19)20)8-11-10-23-14-7-5-4-6-13(11)14/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t12-/m1/s1
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(5-Chlorobenzo[b]thiophen-3-yl)methanamineCas Number: 71625-90-6 Compound CID: 2798782Formula: C9H8ClNS Molecular Weight: 197.69IUPAC Name: (5-chloro-1-benzothiophen-3-yl)methanamineSMILES: C1=CC2=C(C=C1Cl)C(=CS2)CNInChIKey: VRNXLYAXYIHHHH-UHFFFAOYSA-NInChI: InChI=1S/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
