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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt

Similar compounds

Zinc phenolsulfonate127-82-255 % similar Sodium P-phenolsulfonate dihydrate10580-19-551 % similar Sodium xylenesulfonate1300-72-747 % similar Chloramine-T trihydrate7080-50-446 % similar Sodium 2,4-dimethylbenzenesulfonate827-21-445 % similar Sodium p-aminobenzenesulfonate515-74-243 % similar Sodium 4-hydroxybenzenesulfonate825-90-143 % similar Methyl p-tolyl sulfone3185-99-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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