Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SU8BGG88DU
EPA CompTox DTXSID20183288

Structure

InChI Key ALGQDBJUFSYDLA-UHFFFAOYSA-N
Smiles CCOC(=S)SC(=S)OCC
InChI
InChI=1S/C6H10O2S3/c1-3-7-5(9)11-6(10)8-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2S3
Molecular Weight 209.98
AlogP 2.36
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2905-52-4
NORMAN SUSDAT
FDA SRS SU8BGG88DU
PubChem 76188
ChemSpider 19970810.0