Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID7066013

Structure

InChI Key FXBRVWUWVBAZKC-UHFFFAOYSA-N
Smiles [Cl-].CN(C)CCSC(=N)N
InChI
InChI=1S/C5H13N3S/c1-8(2)3-4-9-5(6)7/h3-4H2,1-2H3,(H3,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13N3S1
Molecular Weight 147.08
AlogP 0.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 53.11
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16111-27-6
NORMAN SUSDAT
PubChem 91996064
ChemSpider 76925.0