Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70196545

Structure

InChI Key DZLNHFMRPBPULJ-GSVOUGTGSA-N
Smiles OC(=O)C1CSCN1
InChI
InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7NO2S
Molecular Weight 133.02
AlogP -0.27
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.33
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 45521-09-3
NORMAN SUSDAT
PubChem 198253
ChemSpider 171593.0