SODIUM FORMALDEHYDESULFOXYLATE

General Information

Mainterm	SODIUM FORMALDEHYDESULFOXYLATE
CAS Reg.No.(or other ID)	149-44-0
Regnum	175.105 176.170 177.1210 177.2600

From www.fda.gov

Computed Descriptors

2D Structure
CID	23689980
IUPAC Name	sodium;hydroxymethanesulfinate
InChI	InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChI Key	XWGJFPHUCFXLBL-UHFFFAOYSA-M
Canonical SMILES	C(O)S(=O)[O-].[Na+]
Molecular Formula	CH3NaO3S
Wikipedia	sodium formaldehyde sulfoxylate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	118.082
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Complexity	46.1
CACTVS Substructure Key Fingerprint	A A A D c Q A A M C B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A E g Q A C A A A A A A A A A K A A A A A A g I A A A A A A G A A A A A A A A A A A A A A A A A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	79.6
Monoisotopic Mass	117.97
Exact Mass	117.97
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Sulfinic acids and derivatives
Subclass	Alkanesulfinic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Alkanesulfinic acids
Alternative Parents	Organic cations Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic sodium salts Organosulfur compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkanesulfinic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alkanesulfinic acids. These are organosulfur compounds containing an aliphatic group attached to a sulfinic acid group (or a derivative thereof), with the general formula RSO2R' (R= alkyl, R'=H).

From ClassyFire