Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0JO6C5I84O
EPA CompTox DTXSID3063097

Structure

InChI Key OPMRTBDRQRSNDN-UHFFFAOYSA-N
Smiles S(SCC)SCC
InChI
InChI=1/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10S3
Molecular Weight 153.99
AlogP 3.06
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3600-24-6
NORMAN SUSDAT
FDA SRS 0JO6C5I84O
PubChem 77151