Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 825972ISQX
EPA CompTox DTXSID8020545

Structure

InChI Key KCOYHFNCTWXETP-UHFFFAOYSA-N
Smiles NC(=S)NNC(=S)N
InChI
InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6N4S2
Molecular Weight 150.0
AlogP -0.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 6.0
Polar Surface Area 71.76
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 142-46-1
NORMAN SUSDAT
FDA SRS 825972ISQX
PubChem 2724564
ChemSpider 2006693.0