Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5703W1O1AB
EPA CompTox DTXSID4067808

Structure

InChI Key DRGHCRKOWMAZAO-UHFFFAOYSA-N
Smiles CSCCC(=O)C
InChI
InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O1S1
Molecular Weight 118.05
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 34047-39-7
NORMAN SUSDAT
FDA SRS 5703W1O1AB
PubChem 61922
ChemSpider 55783.0