Imidazole-1-sulfonyl azide hydrochloride

C₃H₄ClN₅O₂SCAS 952234-36-5209.61 g/mol

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Properties

Molecular formula: C₃H₄ClN₅O₂S
Molar mass: 209.61 g/mol
Exact mass: 208.9774 Da
logP: 0.71Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H372 Causes damage to organs through prolonged or repeated exposure95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P319, P501

Identifiers

CAS number

952234-36-5

SMILES

C1=CN(C=N1)S(=O)(=O)N=[N+]=[N-].Cl

InChIKey

XYURSCOGYWBRDR-UHFFFAOYSA-N

InChI

InChI=1S/C3H3N5O2S.ClH/c4-6-7-11(9,10)8-2-1-5-3-8;/h1-3H;1H

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Names and synonyms

1 names

1H-Imidazole-1-sulfonyl azide hydrochloride

Work with Imidazole-1-sulfonyl azide hydrochloride

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

1,1'-Sulphonylbis-1H-imidazole7189-69-743 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-339 % similar 1-[(Trifluoromethyl)sulphonyl]-1H-imidazole29540-81-637 % similar Imidazole-1-sulfonic acid dimethyl amine78162-58-037 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-833 % similar 1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole50257-39-131 % similar 1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole50257-40-430 % similar

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

Elsewhere

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