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:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzothiophenes

(3-chloro-1-benzothiophen-2-yl)methanol
- ≥98%
Cas Number: 124168-55-4 Compound CID: 821965

Formula: C₉H₇OSCl Molecular Weight: 198.66

IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methanol

SMILES: C1=CC=C2C(=C1)C(=C(S2)CO)Cl

InChIKey: CPGKUHFGNJQXKY-UHFFFAOYSA-N

InChI: InChI=1S/C9H7ClOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2
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1-Benzothiophen-2-ylboronic acid(contains varying amounts of Anhydride)
- ≥96%
Cas Number: 98437-23-1

Formula: C₈H₇BO₂S Molecular Weight: 178.02

IUPAC Name: 1-benzothiophen-2-ylboronic acid

SMILES: B(C1=CC2=CC=CC=C2S1)(O)O

InChIKey: YNCYPMUJDDXIRH-UHFFFAOYSA-N

InChI: InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H

Synonyms: 1-Benzothiophene-2-boronic acid | 2-Benzothienylboronic acid | Benzo[b]thien-2-ylboronic acid
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7-bromo-1-benzothiophen-2-amine
- ≥97%
Cas Number: 547766-28-9 Compound CID: 12112208

Formula: C8H6BrNS

IUPAC Name: 7-bromo-1-benzothiophen-2-amine

SMILES: C1=CC2=C(C(=C1)Br)SC(=C2)N

InChIKey: WRWOLPUNYIVAGT-UHFFFAOYSA-N

InChI: InChI=1S/C8H6BrNS/c9-6-3-1-2-5-4-7(10)11-8(5)6/h1-4H,10H2
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(6-bromobenzothiophen-2-yl)methanol
- ≥97%
Cas Number: 374933-76-3 Compound CID: 13567983

Formula: C₉H₇BrOS Molecular Weight: 243.13

IUPAC Name: (6-bromo-1-benzothiophen-2-yl)methanol

SMILES: C1=CC2=C(C=C1Br)SC(=C2)CO

InChIKey: YGEBIGMLMWYGHE-UHFFFAOYSA-N

InChI: InChI=1S/C9H7BrOS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4,11H,5H2
Details

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ethyl 7-bromo-4-fluoro-benzothiophene-2-carboxylate
- ≥97%
Cas Number: 1098608-38-8 Compound CID: 67187545

Formula: C₁₁H₈BrFO₂S Molecular Weight: 303.15

SMILES: CCOC(=O)C1=CC2=C(C=CC(=C2S1)Br)F

InChIKey: MLWLNPPBUQQAHT-UHFFFAOYSA-N

InChI: InChI=1S/C11H8BrFO2S/c1-2-15-11(14)9-5-6-8(13)4-3-7(12)10(6)16-9/h3-5H,2H2,1H3
Details

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ethyl 5-methylbenzothiophene-2-carboxylate
- ≥97%
Cas Number: 101219-39-0 Compound CID: 13527238

Formula: C₁₂H₁₂O₂S Molecular Weight: 220.29

SMILES: CCOC(=O)C1=CC2=C(S1)C=CC(=C2)C

InChIKey: AUWZTDQPZCZCCJ-UHFFFAOYSA-N

InChI: InChI=1S/C12H12O2S/c1-3-14-12(13)11-7-9-6-8(2)4-5-10(9)15-11/h4-7H,3H2,1-2H3
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benzothiophene-6-carboxylic acid
- ≥97%
Cas Number: 6179-26-6 Compound CID: 601281

Formula: C₉H₆O₂S Molecular Weight: 178.21

SMILES: C1=CC(=CC2=C1C=CS2)C(=O)O

InChIKey: VMGLLMDIYIPVHX-UHFFFAOYSA-N

InChI: InChI=1S/C9H6O2S/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H,(H,10,11)
Details

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6-fluorobenzothiophene-3-carboxylic acid
- ≥97%
Cas Number: 1692290-24-6 Compound CID: 18677991

Formula: C₉H₅FO₂S Molecular Weight: 196.2

SMILES: C1=CC2=C(C=C1F)SC=C2C(=O)O

InChIKey: JVKBFXIZVYAKET-UHFFFAOYSA-N

InChI: InChI=1S/C9H5FO2S/c10-5-1-2-6-7(9(11)12)4-13-8(6)3-5/h1-4H,(H,11,12)
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5-methylbenzothiophene-2-carboxylic acid
- ≥97%
Cas Number: 1505-62-0 Compound CID: 605987

Formula: C₁₀H₈O₂S Molecular Weight: 192.24

SMILES: CC1=CC2=C(C=C1)SC(=C2)C(=O)O

InChIKey: OUFWTHMQVXSBCF-UHFFFAOYSA-N

InChI: InChI=1S/C10H8O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
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1-(benzothiophen-3-yl)ethanamine hydrochloride
- ≥97%
Cas Number: 117234-06-7 Compound CID: 70373336

Formula: C₁₀H₁₂ClNS Molecular Weight: 213.73

IUPAC Name: 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride

SMILES: CC(C1=CSC2=CC=CC=C21)N.Cl

InChIKey: HBQPIEGNXUZBDW-UHFFFAOYSA-N

InChI: InChI=1S/C10H11NS.ClH/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;/h2-7H,11H2,1H3;1H
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4-Chlorobenzo[b]thiophene
Cas Number: 66490-33-3 Compound CID: 12398605

Formula: C₈H₅ClS Molecular Weight: 168.64

IUPAC Name: 4-chloro-1-benzothiophene

SMILES: C1=CC2=C(C=CS2)C(=C1)Cl

InChIKey: YGYUMNQONHLLNC-UHFFFAOYSA-N

InChI: InChI=1S/C8H5ClS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H

Synonyms: 4-chlorobenzo[b]thiophene | 4-CHLORO-1-BENZOTHIOPHENE | 4-chlorobenzothiophene | 4-chloro-benzo[b]thiophene | MFCD184...

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Encenicline enantiomer
Cas Number: 550999-76-3 Compound CID: 68431081

Formula: C₁₆H₁₈Cl₂N₂OS Molecular Weight: 357.3

IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide;hydrochloride

SMILES: Cl.ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@@H]1CN2CCC1CC2

InChIKey: OIJYTJGIDVTCFF-BTQNPOSSSA-N

InChI: InChI=1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m1./s1

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