chempirical

Benzo[1,2-B:4,5-B']dithiophene-4,8-dione

C10H4O2S2CAS 32281-36-0220.26 g/mol

Open in Covalent MOL file
SOOS
Ketone

Properties

Molecular formula
C10H4O2S2
Molar mass
220.26 g/mol
Exact mass
219.9653 Da
logP
2.59Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

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
32281-36-0
SMILES
C1=CSC2=C1C(=O)C3=C(C2=O)C=CS3
InChIKey
SIUXRPJYVQQBAF-UHFFFAOYSA-N
InChI
InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H

Weigh it out

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

Work with Benzo[1,2-B:4,5-B']dithiophene-4,8-dione

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

4H-Cyclopenta[2,1-B:3,4-B']dithiophen-4-one25796-77-458 % similar 3-Benzoyl-2-thiophenecarboxylic acid30006-03-252 % similar 2-Thienyl ketone704-38-141 % similar 3-Aminothiophene-2-carboxamide147123-47-540 % similar 2-Acetyl-3-methylthiophene13679-72-639 % similar 2-Amino-3-thiophenecarboxamide14080-51-439 % similar 2-Acetyl-3-aminothiophene31968-33-939 % similar 3-Chlorothiophene-2-carbonyl chloride86427-02-339 % similar

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

Elsewhere

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