Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E1AN38V6MA
EPA CompTox DTXSID9047673

Structure

InChI Key OHDFENKFSKIFBJ-UHFFFAOYSA-N
Smiles Cc1c(SSc2c(C)occ2)cco1
InChI
InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O2S2
Molecular Weight 226.01
AlogP 4.29
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 26.28
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 28588-75-2
NORMAN SUSDAT
FDA SRS E1AN38V6MA
PubChem 526624
ChemSpider 459081.0