Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 908TML09TJ

Structure

InChI Key LWQHJELPBKVFOH-UHFFFAOYSA-N
Smiles N#CSCCOCCSC#N
InChI
InChI=1S/C6H8N2OS2/c7-5-10-3-1-9-2-4-11-6-8/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2O1S2
Molecular Weight 188.01
AlogP 1.43
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 56.81
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4617-17-8
NORMAN SUSDAT
FDA SRS 908TML09TJ