Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64X7NUB4AK
EPA CompTox DTXSID60143942

Structure

InChI Key DRINJBFRTLBHNF-UHFFFAOYSA-N
Smiles O=S(=O)(Cl)C(C)C
InChI
InChI=1/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7ClO2S
Molecular Weight 141.99
AlogP 0.96
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 10147-37-2
NORMAN SUSDAT
FDA SRS 64X7NUB4AK
PubChem 82408