Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X7A0Q688ZP

Structure

InChI Key XXNRHOAJIUSMOQ-UHFFFAOYSA-N
Smiles CCO[P](C)(O)=S
InChI
InChI=1S/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9O2P1S1
Molecular Weight 140.01
AlogP 0.95
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.46
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 18005-40-8
NORMAN SUSDAT
FDA SRS X7A0Q688ZP