Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 55MT39460B
EPA CompTox DTXSID40510618

Structure

InChI Key JFZSAWUKZISBJM-UHFFFAOYSA-N
Smiles FC(F)(F)c1n[nH]c(=O)s1
InChI
InChI=1S/C3HF3N2OS/c4-3(5,6)1-7-8-2(9)10-1/h(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H1F3N2O1S1
Molecular Weight 169.98
AlogP 1.26
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.01
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 84352-75-0
NORMAN SUSDAT
FDA SRS 55MT39460B
PubChem 12816283
ChemSpider 15046294.0