Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BYW485QH92
EPA CompTox DTXSID0073245

Structure

InChI Key KZRRLRUEAGCJRA-UHFFFAOYSA-N
Smiles CCO[P+](=S)OCC
InChI
InChI=1S/C4H10O2PS/c1-3-5-7(8)6-4-2/h3-4H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O2P1S1
Molecular Weight 153.01
AlogP 1.83
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 18.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 999-01-9
NORMAN SUSDAT
FDA SRS BYW485QH92
PubChem 70461
ChemSpider 4886663.0