Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XEP9793KZB
EPA CompTox DTXSID00184531

Structure

InChI Key SNGRPWPVGSSZGV-UHFFFAOYSA-N
Smiles CCCSSCC
InChI
InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12S2
Molecular Weight 136.04
AlogP 2.8
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 30453-31-7
NORMAN SUSDAT
FDA SRS XEP9793KZB