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

Structure

InChI Key SGPCGQHSTZVQMA-UHFFFAOYSA-M
Smiles C[Hg]SCC(O)CO
InChI
InChI=1S/C3H8O2S.CH3.Hg/c4-1-3(5)2-6;;/h3-6H,1-2H2;1H3;/q;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10Hg1O2S1
Molecular Weight 324.01
AlogP -0.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2597-95-7
NORMAN SUSDAT