2-Thienyl ketone

C₉H₆OS₂CAS 704-38-1194.27 g/mol

Open in Covalent MOL file

Ketone

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

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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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