6-Methoxybenzo(B)thiophene

C₉H₈OSCAS 90560-10-4164.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈OS
Molar mass: 164.22 g/mol
Exact mass: 164.0296 Da
logP: 2.91Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

90560-10-4

SMILES

COC1=CC2=C(C=C1)C=CS2

InChIKey

WGDVDMKNSDCNGB-UHFFFAOYSA-N

InChI

InChI=1S/C9H8OS/c1-10-8-3-2-7-4-5-11-9(7)6-8/h2-6H,1H3

Weigh it out

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Names and synonyms

1 names

6-Methoxy-1-benzothiophene

Work with 6-Methoxybenzo(B)thiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethoxynaphthalene5486-55-556 % similar 6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene63675-74-154 % similar 2,7-Dimethoxynaphthalene3469-26-954 % similar 6-Methoxybenzothiazole2942-13-449 % similar β-Naphthol methyl ether93-04-948 % similar Benzo[1,2-B:4,5-B']dithiophene267-65-248 % similar 6-Bromobenzo[b]thiophene17347-32-947 % similar 2-Bromo-6-methoxynaphthalene5111-65-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzo[b]thiophene-2-methanol17890-56-1

Elsewhere

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