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

Benzo[1，2-b:3，4-b':5，6-b'']trithiophene
- ≥96%
Cas Number: 29150-63-8 Compound CID: 44225674

Formula: C₁₂H₆S₃ Molecular Weight: 246.4

IUPAC Name: 3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene

SMILES: C1=CSC2=C1C3=C(C=CS3)C4=C2C=CS4

InChIKey: DKSAJSCNXULKER-UHFFFAOYSA-N

InChI: InChI=1S/C12H6S3/c1-4-13-10-7(1)11-9(2-5-14-11)12-8(10)3-6-15-12/h1-6H
Details

Pricing Close
Ethyl benzo[b]thiophene-2-carboxylate
- ≥98%
Cas Number: 17890-55-0 Compound CID: 10889055

Formula: C₁₁H₁₀O₂S Molecular Weight: 206.26

IUPAC Name: ethyl 1-benzothiophene-2-carboxylate

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

InChIKey: PSLMIXGNCNQQRY-UHFFFAOYSA-N

InChI: InChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
Details

Pricing Close
Bethoxazin
- ≥98%
Cas Number: 163269-30-5 EC Number: 431-030-6, 682-463-4 Compound CID: 12040175

IUPAC Name: 3-(1-benzothiophen-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-oxide

SMILES: C1CS(=O)C(=NO1)C2=CC3=CC=CC=C3S2

InChIKey: NRAYWXLNSHEHQO-UHFFFAOYSA-N

InChI: InChI=1S/C11H9NO2S2/c13-16-6-5-14-12-11(16)10-7-8-3-1-2-4-9(8)15-10/h1-4,7H,5-6H2
Details

Pricing Close
5-Bromobenzo[b]thiophene-3-carbaldehyde
- ≥97%
Cas Number: 16296-72-3 Compound CID: 7537499

Formula: C₉H₅BrOS Molecular Weight: 241.11

IUPAC Name: 5-bromo-1-benzothiophene-3-carbaldehyde

SMILES: C1=CC2=C(C=C1Br)C(=CS2)C=O

InChIKey: LQLMHAYNFMAEHI-UHFFFAOYSA-N

InChI: InChI=1S/C9H5BrOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
Details

Pricing Close
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophene-5-carbaldehyde
- ≥95%
Cas Number: 953410-99-6 Compound CID: 16414195

Formula: C₁₅H₁₇BO₃S Molecular Weight: 288.2

IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-5-carbaldehyde

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C=CC(=C3)C=O

InChIKey: ZHGWYHIXAPDOAP-UHFFFAOYSA-N

InChI: InChI=1S/C15H17BO3S/c1-14(2)15(3,4)19-16(18-14)13-8-11-7-10(9-17)5-6-12(11)20-13/h5-9H,1-4H3
Details

Pricing Close
(6-Bromobenzo[b]thiophen-2-yl)methanol
- ≥96%
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

Pricing Close
(6-Methoxybenzo[b]thiophen-2-yl)boronicacid
- ≥98%
Cas Number: 182133-35-3 Compound CID: 10560276

Formula: C₉H₉BO₃S Molecular Weight: 208.05

IUPAC Name: (6-methoxy-1-benzothiophen-2-yl)boronic acid

SMILES: B(C1=CC2=C(S1)C=C(C=C2)OC)(O)O

InChIKey: PNRDOYJXKKKYSU-UHFFFAOYSA-N

InChI: InChI=1S/C9H9BO3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5,11-12H,1H3
Details

Pricing Close
(6-Chloro-1-Benzothiophen-2-Yl)Methanol
- ≥95%
Cas Number: 234107-53-0 Compound CID: 36995598

Formula: C₉H₇ClOS Molecular Weight: 198.67

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

SMILES: C1=CC2=C(C=C1Cl)SC(=C2)CO

InChIKey: VGQQRAFINZGCNU-UHFFFAOYSA-N

InChI: InChI=1S/C9H7ClOS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4,11H,5H2
Details

Pricing Close
(7-Bromobenzo[b]thiophen-2-yl)methanol
- ≥97%
Cas Number: 1171926-64-9 Compound CID: 53396438

Formula: C₉H₇BrOS Molecular Weight: 243.12

IUPAC Name: (7-bromo-1-benzothiophen-2-yl)methanol

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

InChIKey: GOQLHIBVKJDKPR-UHFFFAOYSA-N

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

Pricing Close
Methyl benzothiophene-3-carboxylate
- ≥98%
Cas Number: 22913-25-3 Compound CID: 12514024

Formula: C₁₀H₈O₂S Molecular Weight: 192.24

IUPAC Name: methyl 1-benzothiophene-3-carboxylate

SMILES: COC(=O)C1=CSC2=CC=CC=C21

InChIKey: FSJAXBXCHWMNAB-UHFFFAOYSA-N

InChI: InChI=1S/C10H8O2S/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6H,1H3
Details

Pricing Close
Methyl benzo[b]thiophene-4-carboxylate
- ≥98%
Cas Number: 100590-43-0 Compound CID: 13448678

Formula: C₁₀H₈O₂S Molecular Weight: 192.24

IUPAC Name: methyl 1-benzothiophene-4-carboxylate

SMILES: COC(=O)C1=C2C=CSC2=CC=C1

InChIKey: LJEKEROHNAFUGD-UHFFFAOYSA-N

InChI: InChI=1S/C10H8O2S/c1-12-10(11)8-3-2-4-9-7(8)5-6-13-9/h2-6H,1H3
Details

Pricing Close
Methyl 7-nitrobenzo[b]thiophene-2-carboxylate
- ≥95%
Cas Number: 34084-89-4 Compound CID: 57722418

Formula: C₁₀H₇NO₄S Molecular Weight: 237.23

IUPAC Name: methyl 7-nitro-1-benzothiophene-2-carboxylate

SMILES: COC(=O)C1=CC2=C(S1)C(=CC=C2)[N+](=O)[O-]

InChIKey: RJUVQMBNXODKGH-UHFFFAOYSA-N

InChI: InChI=1S/C10H7NO4S/c1-15-10(12)8-5-6-3-2-4-7(11(13)14)9(6)16-8/h2-5H,1H3
Details

Pricing Close

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