Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60864665

Structure

InChI Key LFTMJBWNOFFSRW-UHFFFAOYSA-N
Smiles SCC(S)CC
InChI
InChI=1/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10S2
Molecular Weight 122.02
AlogP 1.62
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 16128-68-0
NORMAN SUSDAT
PubChem 61829