Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y7284NZ6EP
EPA CompTox DTXSID30177638

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O1S1
Molecular Weight 118.05
AlogP 1.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2307-10-0
NORMAN SUSDAT
FDA SRS Y7284NZ6EP
PubChem 61295
ChemSpider 55234.0