chempirical

Sodium benzenesulfinate

C6H5NaO2SCAS 873-55-2164.15 g/mol

Open in Covalent MOL file
O−SONa+

Properties

Molecular formula
C6H5NaO2S
Molar mass
164.15 g/mol
Exact mass
163.9908 Da
Melting point
above 300 °C
Boiling point
83–84 °C
logP
0.89Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
873-55-2
SMILES
[O-]S(=O)c1ccccc1.[Na+]
InChIKey
RWDJJOUSDATHMI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2S.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5H,(H,7,8);

Weigh it out

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Names and synonyms

5 names
  • Benzenesulfinic acid, sodium salt (1:1)
  • Benzenesulfinic acid, sodium salt
  • Sodium phenylsulfinate
  • NSC 135147
  • NSC 30629

Work with Sodium benzenesulfinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Zinc benzenesulfinate24308-84-775 % similar Sodium p-chlorobenzenesulfinate14752-66-061 % similar Sodium P-toluenesulfinate824-79-361 % similar Sodium p-fluorobenzenesulfinate824-80-661 % similar Zinc 4-methylbenzenesulfinate24345-02-645 % similar Diphenyl sulfoxide945-51-744 % similar Sodium phenoxide139-02-638 % similar Sodium benzenesulfonate515-42-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook