1H-Tetrazole-1-methanesulfonic acid, 2,5-dihydro-5-thioxo-, sodium salt (1:2)

C₂H₂N₄Na₂O₃S₂CAS 66242-82-8240.16 g/mol

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Properties

Molecular formula: C₂H₂N₄Na₂O₃S₂
Molar mass: 240.16 g/mol
Exact mass: 239.9364 Da
logP: -1.95Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

66242-82-8

SMILES

C(N1C(=NN=N1)[S-])S(=O)(=O)[O-].[Na+].[Na+]

InChIKey

FKYPSXIAUQQHJC-UHFFFAOYSA-L

InChI

InChI=1S/C2H4N4O3S2.2Na/c7-11(8,9)1-6-2(10)3-4-5-6;;/h1H2,(H,3,5,10)(H,7,8,9);;/q;2*+1/p-2

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Names and synonyms

1 names

1H-Tetrazole-1-methanesulfonic acid, 2,5-dihydro-5-thioxo-, disodium salt

Work with 1H-Tetrazole-1-methanesulfonic acid, 2,5-dihydro-5-thioxo-, sodium salt (1:2)

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.

2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulfonic acid67146-22-9Free acid

Similar compounds

Disodium 1,2-ethanedisulfonate5325-43-935 % similar Disodium methanedisulfonate5799-70-235 % similar 1,3-Propanedisulfonic acid disodium salt36589-58-933 % similar Disodium butane-1,4-disulfonate36589-61-433 % similar Sodium pipesate76836-02-733 % similar 3-Bromopropanesulfonic acid sodium salt55788-44-833 % similar Sodium hydroxymethanesulfonate870-72-432 % similar Propylsulfonic acid sodium salt14533-63-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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