chempirical

Zinc 4-methylbenzenesulfinate

C14H14O4S2ZnCAS 24345-02-6375.76 g/mol

Open in Covalent MOL file
SO−OSO−OZn2+

Properties

Molecular formula
C14H14O4S2Zn
Molar mass
375.76 g/mol
Exact mass
373.9625 Da
Melting point
251 °C (decomposes)
logP
1.57Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
24345-02-6
SMILES
Cc1ccc(S([O-])=O)cc1.Cc1ccc(S([O-])=O)cc1.[Zn+2]
InChIKey
PNAUHXYNIJBRMI-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2S.Zn/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);

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Names and synonyms

6 names
  • Benzenesulfinic acid, 4-methyl-, zinc salt (2:1)
  • p-Toluenesulfinic acid, zinc salt
  • Benzenesulfinic acid, 4-methyl-, zinc salt
  • Zinc p-toluenesulfinate
  • Unicell TM
  • Cellpaste P

Work with Zinc 4-methylbenzenesulfinate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium P-toluenesulfinate824-79-378 % similar Zinc benzenesulfinate24308-84-761 % similar 1,1′-Sulfinylbis[4-methylbenzene]1774-35-250 % similar Sodium p-chlorobenzenesulfinate14752-66-045 % similar Sodium p-fluorobenzenesulfinate824-80-645 % similar Sodium benzenesulfinate873-55-245 % similar Zinc P-toluenesulfonate hydrate123334-05-438 % similar P-Xylene106-42-338 % similar

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

Elsewhere

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