Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X2SFL51MH0
EPA CompTox DTXSID3051464

Structure

InChI Key CETBSQOFQKLHHZ-UHFFFAOYSA-N
Smiles CCSSCC
InChI
InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10S2
Molecular Weight 122.02
AlogP 2.41
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 110-81-6
NORMAN SUSDAT
FDA SRS X2SFL51MH0
PubChem 8077
ChemSpider 7786.0