Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6091RQ1378
EPA CompTox DTXSID3059393

Structure

InChI Key LNRIEBFNWGMXKP-UHFFFAOYSA-N
Smiles CCSCCO
InChI
InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O1S1
Molecular Weight 106.05
AlogP 0.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 110-77-0
NORMAN SUSDAT
FDA SRS 6091RQ1378
PubChem 8075
ChemSpider 21159459.0