Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WXB7P88MHJ
EPA CompTox DTXSID701015823

Structure

InChI Key NCNISYUOWMIOPI-UHFFFAOYSA-N
Smiles CCC(S)S
InChI
InChI=1S/C3H8S2/c1-2-3(4)5/h3-5H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8S2
Molecular Weight 108.01
AlogP 1.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 88497-17-0
NORMAN SUSDAT
FDA SRS WXB7P88MHJ