chempirical

2,2'-Thenil

C10H6O2S2CAS 7333-07-5222.28 g/mol

Open in Covalent MOL file
SOOS
Ketone

Properties

Molecular formula
C10H6O2S2
Molar mass
222.28 g/mol
Exact mass
221.9809 Da
logP
2.88Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

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
7333-07-5
SMILES
C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2
InChIKey
UNWKVSDABPCZMK-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H

Weigh it out

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

Work with 2,2'-Thenil

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-Thiopheneglyoxylic acid4075-59-669 % similar 2-Thienyl ketone704-38-165 % similar Ethyl 2-thienylglyoxylate4075-58-558 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook