Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HA39B8WFB8
EPA CompTox DTXSID30870657

Structure

InChI Key MBDUIEKYVPVZJH-UHFFFAOYSA-N
Smiles O=S(=O)(CC)CC
InChI
InChI=1/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O2S
Molecular Weight 122.04
AlogP 0.44
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 597-35-3
NORMAN SUSDAT
FDA SRS HA39B8WFB8
PubChem 69004