Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BKH76WPU8C
EPA CompTox DTXSID40190797

Structure

InChI Key NBBZMDUHKWRYSZ-UHFFFAOYSA-N
Smiles CSC(=S)N(C)C
InChI
InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1S2
Molecular Weight 135.02
AlogP 1.2
Hydrogen Bond Acceptor 2.0
Polar Surface Area 3.24
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3735-92-0
NORMAN SUSDAT
FDA SRS BKH76WPU8C
PubChem 19526
ChemSpider 18397.0