Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7070894

Structure

InChI Key HRXZNUFSACENKF-UHFFFAOYSA-N
Smiles CCOC(=O)N1C(=O)CSC1=S
InChI
InChI=1S/C6H7NO3S2/c1-2-10-5(9)7-4(8)3-12-6(7)11/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7N1O3S2
Molecular Weight 204.99
AlogP 1.0
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 46.61
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 67952-24-3
NORMAN SUSDAT
PubChem 106202
ChemSpider 95654.0