Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KL096K0KXL
EPA CompTox DTXSID3046536

Structure

InChI Key DZLNHFMRPBPULJ-VKHMYHEASA-N
Smiles [O-]C(=O)[C@@H]1CSC[NH2+]1
InChI
InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N1O2S1
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 34592-47-7
NORMAN SUSDAT
FDA SRS KL096K0KXL
PubChem 6973609
ChemSpider 38749.0