Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZV4QC18D1N
EPA CompTox DTXSID10863325

Structure

InChI Key PXSVQMKXJZTWPN-UHFFFAOYSA-N
Smiles O=C(OC)C(C)CS
InChI
InChI=1/C5H10O2S/c1-4(3-8)5(6)7-2/h4,8H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O2S
Molecular Weight 134.04
AlogP 0.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4131-76-4
NORMAN SUSDAT
FDA SRS ZV4QC18D1N
PubChem 107231