Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 85VJA9KBCH
EPA CompTox DTXSID50865146

Structure

InChI Key XMEPRJBZFCWFKN-UHFFFAOYSA-N
Smiles SCCC(S)C
InChI
InChI=1/C4H10S2/c1-4(6)2-3-5/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 24330-52-7
NORMAN SUSDAT
FDA SRS 85VJA9KBCH
PubChem 520119