Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1U9V3213BJ
EPA CompTox DTXSID80865912

Structure

InChI Key VIVJHDGDCOQORO-UHFFFAOYSA-N
Smiles O=CCC(SC)CCC
InChI
InChI=1/C7H14OS/c1-3-4-7(9-2)5-6-8/h6-7H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14OS
Molecular Weight 146.08
AlogP 2.11
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 38433-74-8
NORMAN SUSDAT
FDA SRS 1U9V3213BJ
PubChem 3015979