chempirical

Zinc P-toluenesulfonate hydrate

C14H16O7S2ZnCAS 123334-05-4425.78 g/mol

Open in Covalent MOL file
SOOO−SOOO−H2OZn2+
Sulfonic acid

Properties

Molecular formula
C14H16O7S2Zn
Molar mass
425.78 g/mol
Exact mass
423.9629 Da
logP
0.97Crippen estimate
Polar surface area
145.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2

Identifiers

CAS number
123334-05-4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Zn+2]
InChIKey
JCOXFVWERPVZPB-UHFFFAOYSA-L
InChI
InChI=1S/2C7H8O3S.H2O.Zn/c2*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*2-5H,1H3,(H,8,9,10);1H2;/q;;;+2/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Zinc P-toluenesulfonate hydrate

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 4-methylbenzenesulfonate12068-03-072 % similar Sodium P-toluenesulfonate657-84-172 % similar Silver tosylate16836-95-670 % similar Ferric P-toluenesulfonate77214-82-570 % similar Tetraethylammonium P-toluenesulfonate733-44-860 % similar Zinc phenolsulfonate127-82-256 % similar Choline p-toluenesulfonate55357-38-553 % similar Sodium P-phenolsulfonate dihydrate10580-19-551 % similar

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

Elsewhere

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