Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9B48E0787W
EPA CompTox DTXSID80866343

Structure

InChI Key HFVLNCDRAMUMCC-UHFFFAOYSA-N
Smiles O=C(C)C(SC)C
InChI
InChI=1/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10OS
Molecular Weight 118.05
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 53475-15-3
NORMAN SUSDAT
FDA SRS 9B48E0787W
PubChem 103788