chempirical

3H-1,2-Benzodithiol-3-one-1,1-dioxide

C7H4O3S2CAS 66304-01-6200.23 g/mol

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Properties

Molecular formula
C7H4O3S2
Molar mass
200.23 g/mol
Exact mass
199.9602 Da
logP
1.26Crippen estimate
Polar surface area
51.2 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
66304-01-6
SMILES
C1=CC=C2C(=C1)C(=O)SS2(=O)=O
InChIKey
JUDOLRSMWHVKGX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4O3S2/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H

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Work with 3H-1,2-Benzodithiol-3-one-1,1-dioxide

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

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

Elsewhere

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