Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OXW45UTR7B
EPA CompTox DTXSID60176199

Structure

InChI Key XNZOTQPMYMCTBZ-UHFFFAOYSA-N
Smiles CSSCC=C
InChI
InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8S2
Molecular Weight 120.01
AlogP 2.18
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 2179-58-0
NORMAN SUSDAT
FDA SRS OXW45UTR7B
PubChem 62434
ChemSpider 56217.0