Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RB66T45JQP
EPA CompTox DTXSID8060797

Structure

InChI Key ASKHTHDBINVNFJ-UHFFFAOYSA-N
Smiles CCOS(=O)(=O)Cl
InChI
InChI=1S/C2H5ClO3S/c1-2-6-7(3,4)5/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5Cl1O3S1
Molecular Weight 143.96
AlogP 0.51
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 625-01-4
NORMAN SUSDAT
FDA SRS RB66T45JQP
PubChem 69359
ChemSpider 62568.0