Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key SZFKLJGYIAMWJC-UHFFFAOYSA-N
Smiles [K+].[O-][S](=O)(=O)CCC[S](=O)(=O)C1CCSC1
InChI
InChI=1S/C7H14O5S3/c8-14(9,7-2-3-13-6-7)4-1-5-15(10,11)12/h7H,1-6H2,(H,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14O5S3
Molecular Weight 274.0
AlogP 0.18
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 88.51
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68083-30-7
NORMAN SUSDAT