Structure

InChI Key LEVWYRKDKASIDU-IMJSIDKUSA-N
Smiles N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O
InChI
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2O4S2
Molecular Weight 240.02
AlogP -0.81
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 126.64
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 56-89-3
NORMAN SUSDAT
FDA SRS 48TCX9A1VT
PubChem 67678
ChemSpider 60997.0