Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3RZ74WA9J2
EPA CompTox DTXSID00205073

Structure

InChI Key XBKONSCREBSMCS-REOHCLBHSA-N
Smiles N[C@@H](CSS)C(=O)O
InChI
InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7NO2S2
Molecular Weight 152.99
AlogP -0.02
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 63.32
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5652-32-4
NORMAN SUSDAT
FDA SRS 3RZ74WA9J2
PubChem 165331