Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00976236

Structure

InChI Key GILAQKILVGHFPX-UHFFFAOYSA-N
Smiles OCC(O)CSCC
InChI
InChI=1/C5H12O2S/c1-2-8-4-5(7)3-6/h5-7H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12O2S
Molecular Weight 136.06
AlogP 0.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 40.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 60763-78-2
NORMAN SUSDAT
PubChem 108509