Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K3WZ3A4Q5U
EPA CompTox DTXSID20432324

Structure

InChI Key RUEMHHSAZHTSOK-UHFFFAOYSA-N
Smiles C=CCSSSSSSCC=C
InChI
InChI=1S/C6H10S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10S6
Molecular Weight 273.91
AlogP 5.33
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 9.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 137443-18-6
NORMAN SUSDAT
FDA SRS K3WZ3A4Q5U