Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00945205

Structure

InChI Key FXIHXPKPLPKPJH-UHFFFAOYSA-N
Smiles OCC(O)CSC
InChI
InChI=1/C4H10O2S/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O2S
Molecular Weight 122.04
AlogP -0.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 22551-26-4
NORMAN SUSDAT
PubChem 90802