Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6236S3K4VV
EPA CompTox DTXSID20334793

Structure

InChI Key ABUPWXCYFWRZKL-UHFFFAOYSA-N
Smiles CCCCSSC
InChI
InChI=1S/C5H12S2/c1-3-4-5-7-6-2/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 60779-24-0
NORMAN SUSDAT
FDA SRS 6236S3K4VV