chempirical

5H-Dithieno[3,2-B:2',3'-D]pyran-5-one

C9H4O2S2CAS 1295502-12-3208.25 g/mol

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SOOS

Properties

Molecular formula
C9H4O2S2
Molar mass
208.25 g/mol
Exact mass
207.9653 Da
logP
3.07Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
1295502-12-3
SMILES
C1=CSC2=C1C(=O)OC3=C2SC=C3
InChIKey
BLWMCWJAHPGSIM-UHFFFAOYSA-N
InChI
InChI=1S/C9H4O2S2/c10-9-5-1-3-12-7(5)8-6(11-9)2-4-13-8/h1-4H

Weigh it out

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

Work with 5H-Dithieno[3,2-B:2',3'-D]pyran-5-one

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

Diphenic anhydride6050-13-135 % similar Urolithin A1143-70-033 % similar Urolithin B1139-83-932 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook