Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00865676

Structure

InChI Key OTKFCIVOVKCFHR-UHFFFAOYSA-N
Smiles O=S(C)CSC
InChI
InChI=1/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8OS2
Molecular Weight 124.0
AlogP 0.69
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 33577-16-1
NORMAN SUSDAT
PubChem 99129