Methyl benzo(b)thiophene-2-carboxylate

C₁₀H₈O₂SCAS 22913-24-2192.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈O₂S
Molar mass: 192.23 g/mol
Exact mass: 192.0245 Da
logP: 2.69Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

22913-24-2

SMILES

COC(=O)C1=CC2=CC=CC=C2S1

InChIKey

KRRAZMUPVIGDCU-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Methyl benzo[B]thiophene-2-carboxylate

Work with Methyl benzo(b)thiophene-2-carboxylate

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

Methyl 5-amino-1-benzothiophene-2-carboxylate20699-85-864 % similar Methyl 5-bromobenzo[b]thiophene-2-carboxylate7312-11-064 % similar 2-Acetylbenzothiophene22720-75-858 % similar Dimethyl 2,3-naphthalenedicarboxylate13728-34-254 % similar Benzo[B]thiophene-2-carbonyl chloride39827-11-754 % similar Benzo[b]thiophene-2-carboxylic acid6314-28-954 % similar Methyl 2-thiophenecarboxylate5380-42-753 % similar Methyl 2-naphthoate2459-25-850 % similar

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

Same formula

Benzo[b]thiophene-3-acetic acid1131-09-5

Elsewhere

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