S-(1E)-1-PROPEN-1-YL METHANESULFINOTHIOATE

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Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID901265703

Structure

InChI Key FCQZRAVPZFRUNA-ONEGZZNKSA-N
Smiles O=S(S/C=C/C)C
InChI
InChI=1/C4H8OS2/c1-3-4-6-7(2)5/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 119052-99-2
NORMAN SUSDAT
PubChem 10129986
ChemSpider 8305505.0
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