Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UF6M7C1P7H
EPA CompTox DTXSID1042447

Structure

InChI Key RZRJACCZWZTYJY-UHFFFAOYSA-N
Smiles CN(C)C(=S)SSC(C)(C)C
InChI
InChI=1S/C7H15NS3/c1-7(2,3)11-10-6(9)8(4)5/h1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1S3
Molecular Weight 209.04
AlogP 3.01
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3304-97-0
NORMAN SUSDAT
FDA SRS UF6M7C1P7H
PubChem 72602
ChemSpider 65479.0