5-(2,4-Disulfophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)-2H-tetrazolium inner salt sodium salt (1:1)

C₁₉H₁₁IN₅NaO₈S₂CAS 150849-52-8651.34 g/mol

Open in Covalent MOL file

Aryl halide Nitro Sulfonic acid

Properties

Molecular formula: C₁₉H₁₁IN₅NaO₈S₂
Molar mass: 651.34 g/mol
Exact mass: 650.8991 Da
logP: 1.49Crippen estimate
Polar surface area: 189.3 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 6

Identifiers

CAS number

150849-52-8

SMILES

[O-][N+](=O)c1ccc(-[n+]2nc(-c3ccc(S([O-])(=O)=O)cc3S([O-])(=O)=O)nn2-c2ccc(I)cc2)cc1.[Na+]

InChIKey

XNCFFHPDHZIISK-UHFFFAOYSA-N

InChI

InChI=1S/C19H12IN5O8S2.Na/c20-12-1-3-13(4-2-12)23-21-19(22-24(23)14-5-7-15(8-6-14)25(26)27)17-10-9-16(34(28,29)30)11-18(17)35(31,32)33;/h1-11H,(H-,28,29,30,31,32,33);

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Names and synonyms

3 names

2H-Tetrazolium, 5-(2,4-disulfophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)-, inner salt, sodium salt (1:1)
2H-Tetrazolium, 5-(2,4-disulfophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)-, inner salt, sodium salt
WST 1

Work with 5-(2,4-Disulfophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)-2H-tetrazolium inner salt sodium salt (1:1)

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

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

Elsewhere

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