2-Thienyl ketone

C₉H₆OS₂CAS 704-38-1194.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆OS₂
Molar mass: 194.27 g/mol
Exact mass: 193.9860 Da
logP: 3.04Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

704-38-1

SMILES

C1=CSC(=C1)C(=O)C2=CC=CS2

InChIKey

GUTQMBQKTSGBPQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H6OS2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6H

Weigh it out

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Names and synonyms

1 names

Bis(2-thienyl) ketone

Work with 2-Thienyl ketone

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-Benzoylthiophene135-00-272 % similar 2,2'-Thenil7333-07-565 % similar (4-Fluorophenyl)-2-thienylmethanone579-49-762 % similar Thiophene-2-carboxylic anhydride25569-97-558 % similar Thiophene-2-carboxylic acid527-72-058 % similar 2-Thiophenecarbonyl chloride5271-67-058 % similar 2-Thiophenecarboxamide5813-89-858 % similar 2-Acetylthiophene88-15-358 % similar

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

Same formula

[2,2'-Bithiophene]-5-carboxaldehyde3779-27-9

Elsewhere

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