Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID501275990

Structure

InChI Key LXYFYPXBSIMFKX-ONEGZZNKSA-N
Smiles C/C=C/S(=O)SC
InChI
InChI=1/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8OS2
Molecular Weight 136.0
AlogP 1.55
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 134568-43-7
NORMAN SUSDAT
PubChem 5319763
ChemSpider 4477989.0