CAS 20277-69-4|sodium methanesulfinate|Methanesulfinic acid, sodium salt|sodium methanesulfinate|甲烷亚磺酸钠盐|甲烷亚磺酸钠|Sodium methanesulfinate|Methanesulfinic acid sodium salt|Methanesulfinic...

General Information

Structure

Molecular Formula

CH₃NaO₂S

Molecular Mass

102.08809

Exact Mass

101.97514462

Charge

InChI

InChI=1S/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3);/q;+1/p-1

InChIKey

LYPGDCWPTHTUDO-UHFFFAOYSA-M

Canonic Smiles

[O-]S(=O)C.[Na+]

Isomeric Smiles

CS(=O)[O-].[Na+]

Calculated Properties

JChem

Acid pKa

2.0

H Acceptors

H Donor

LogD (pH = 5.5)

-2.9652312

LogD (pH = 7.4)

-2.9892845

Log P

-0.7258

Molar Refractivity

14.5873

Polarizability

6.6273723

Polar Surface Area

40.13

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

sodium methanesulfinate

Synonyms

Methanesulfinic acid, sodium salt甲烷亚磺酸钠盐甲烷亚磺酸钠Sodium methanesulfinateMethanesulfinic acid sodium saltMethanesulfinic acid sodium saltSodium methanesulphinateMethanesulphinic acid, sodium salt甲磺酸钠Sodium methanesulfinate

IUPAC name

sodium methanesulfinate

Names and Identifiers

Registration numbers

EC Number

CAS Number

MDL Number

PubChem SID

PubChem CID

Beilstein Number

Registration numbers

Properties

Physical Property

223-225°C

222-226(dec.)°C

222-226 °C (dec.)(lit.)

227-230°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

433063

Packaging
1, 10 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Nucleophilic reagent for preparation of alkyl methyl sulfones: J. Am. Chem. Soc., 75, 5582 (1953). Aryl methyl sulfones are formed by S_NAr displacement of activated p-fluoroor p-chloro substituents from aryl aldehydes, ketones, nitriles or nitro compounds in DMSO: J. Org. Chem., 54, 4691 (1989). In the presence of CuI in DMF, displacement of non-activated iodoarenes occurs: Tetrahedron Lett., 36, 6239 (1995); see also: J. Org. Chem., 70, 2696 (2005). Under similar conditions, selective displacement of an aryl bromo substituent in the presence of an aryl fluoro can be effected.: J. Org. Chem., 70, 268 (2005). Arylboronic acids undergo displacement with the reagent under mild conditions in the presence of copper(II) acetate in DMF or DMSO; selective displacement of the boronate group from 3-bromobenzeneboronic acid is possible: Tetrahedron Lett., 45, 3233 (2004).

References

Bioactivity

PubChem BioAssay

Bioactivity