Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 48ZVC11JGJ

Structure

InChI Key LUCDVNXIIQYRLZ-UHFFFAOYSA-N
Smiles CCO[P](C)(=S)Oc1ccc(SC)cc1
InChI
InChI=1S/C10H15O2PS2/c1-4-11-13(2,14)12-9-5-7-10(15-3)8-6-9/h5-8H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15O2P1S2
Molecular Weight 262.03
AlogP 3.76
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 2703-13-1
NORMAN SUSDAT
FDA SRS 48ZVC11JGJ