Thorin (chemistry)

C₁₆H₁₁AsN₂Na₂O₁₀S₂CAS 3688-92-4576.29 g/mol

Open in Covalent MOL file

Azo Phenol Sulfonic acid

Properties

Molecular formula: C₁₆H₁₁AsN₂Na₂O₁₀S₂
Molar mass: 576.29 g/mol
Exact mass: 575.8866 Da
logP: 0.25Crippen estimate
Polar surface area: 211.2 Å²
H-bond donors / acceptors: 5 / 8
Rotatable bonds: 5

Identifiers

CAS number

3688-92-4

SMILES

[O-]S(=O)(=O)c1ccc2c(c1)cc(S(=O)(=O)O)c(O)c2N=Nc1ccccc1[As]([O-])(=O)O.[Na+].[Na+]

InChIKey

PLFZMHNLPSARON-UHFFFAOYSA-N

InChI

InChI=1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;

Weigh it out

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

Names and synonyms

6 names

2,7-Naphthalenedisulfonic acid, 4-[2-(2-arsonophenyl)diazenyl]-3-hydroxy-, sodium salt (1:2)
2,7-Naphthalenedisulfonic acid, 4-[(o-arsonophenyl)azo]-3-hydroxy-, disodium salt
2,7-Naphthalenedisulfonic acid, 4-[(2-arsonophenyl)azo]-3-hydroxy-, disodium salt
Thoronol
Thorin
Thorin I

Work with Thorin (chemistry)

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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