Compound Summary for: CID 8999

Molecular Formula: CH3NaO3S   Molecular Weight: 118.087489   InChIKey: XWGJFPHUCFXLBL-UHFFFAOYSA-M
Compound Information
CID 8999
Create Date: 2005-08-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 118.087489 [g/mol]
Molecular FormulaCH3NaO3S
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count0
Exact Mass117.970059
MonoIsotopic Mass117.970059
Topological Polar Surface Area79.6
Heavy Atom Count6
Formal Charge0
Complexity36.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Namesodium;hydroxymethanesulfinate
InChIInChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKeyXWGJFPHUCFXLBL-UHFFFAOYSA-M
Canonical SMILESC(O)S(=O)[O-].[Na+]
Isomeric SMILESC(O)S(=O)[O-].[Na+]
Old Version Substance Information