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

Structure

InChI Key NUMBJEPDYGRUNB-UHFFFAOYSA-M
Smiles C[Sn](C)(C)|[O][S](O)(=O)=O
InChI
InChI=1S/3CH3.H2O4S.Sn/c;;;1-5(2,3)4;/h3*1H3;(H2,1,2,3,4);/q;;;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H10O4S1Sn1
Molecular Weight 261.93
AlogP -0.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 77.43
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 63869-87-4
NORMAN SUSDAT