Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 983O8ZL28A
EPA CompTox DTXSID30187717

Structure

InChI Key JGMPRNFEEAJLAJ-UHFFFAOYSA-N
Smiles S(SC)SCC=C
InChI
InChI=1/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8S3
Molecular Weight 151.98
AlogP 2.83
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 34135-85-8
NORMAN SUSDAT
FDA SRS 983O8ZL28A
PubChem 61926