Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 895H18Q125
EPA CompTox DTXSID20189220

Structure

InChI Key FMMYTRQXHORTCU-UHFFFAOYSA-N
Smiles CS(=O)(=O)OCCCl
InChI
InChI=1S/C3H7ClO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Cl1O3S1
Molecular Weight 157.98
AlogP 0.2
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3570-58-9
NORMAN SUSDAT
FDA SRS 895H18Q125
PubChem 19128
ChemSpider 18049.0