Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10191771

Structure

InChI Key XDNRHSANVXQAHZ-UHFFFAOYSA-N
Smiles CNC(=S)NNC(=S)NC
InChI
InChI=1S/C4H10N4S2/c1-5-3(9)7-8-4(10)6-2/h1-2H3,(H2,5,7,9)(H2,6,8,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10N4S2
Molecular Weight 178.03
AlogP -0.09
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Polar Surface Area 48.78
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 38451-14-8
NORMAN SUSDAT
PubChem 13626733
ChemSpider 15211645.0