Thianaphthene-2-carboxamide

C₉H₇NOSCAS 6314-42-7177.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇NOS
Molar mass: 177.22 g/mol
Exact mass: 177.0248 Da
logP: 2.00Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 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

6314-42-7

SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)N

InChIKey

GYSCBCSGKXNZRH-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NOS/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11)

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Names and synonyms

1 names

1-Benzothiophene-2-carboxamide

Work with Thianaphthene-2-carboxamide

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-Acetylbenzothiophene22720-75-859 % similar Benzo[B]thiophene-2-carbonyl chloride39827-11-759 % similar Benzo[b]thiophene-2-carboxylic acid6314-28-959 % similar Methyl benzo(b)thiophene-2-carboxylate22913-24-254 % similar Benzo[b]thiophene-2-carboxylic hydrazide175135-07-650 % similar 2-Thiophenecarboxamide5813-89-844 % similar 1-Benzothiophene-2-carbaldehyde3541-37-542 % similar 2-Methylbenzothiophene1195-14-841 % similar

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

Same formula

2-Acetylbenzothiazole1629-78-3 1-(4-Isothiocyanatophenyl)ethan-1-one2131-57-9 3-Acetylphenylisothiocyanate3125-71-1 2-Hydroxy-4-phenylthiazole3884-31-9 1-(Benzo[d]thiazol-5-yl)ethanone90347-90-3

Elsewhere

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