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

Structure

InChI Key SVUNGRWSYPGFNP-UHFFFAOYSA-N
Smiles O(C)CC1SC1
InChI
InChI=1/C4H8OS/c1-5-2-4-3-6-4/h4H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8OS
Molecular Weight 104.03
AlogP 0.75
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 19858-14-1
NORMAN SUSDAT
PubChem 29837