1-(p-Toluenesulfonyl)imidazole

C10H10N2O2SCAS 2232-08-8222.26 g/mol

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SOONN

Properties

Molecular formula
C10H10N2O2S
Molar mass
222.26 g/mol
Exact mass
222.0463 Da
Melting point
77–78 °C
logP
1.43Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
2232-08-8
SMILES
Cc1ccc(S(=O)(=O)n2ccnc2)cc1
InChIKey
YJYMYJRAQYREBT-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2S/c1-9-2-4-10(5-3-9)15(13,14)12-7-6-11-8-12/h2-8H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1H-Imidazole, 1-[(4-methylphenyl)sulfonyl]-
  • Imidazole, 1-(p-tolylsulfonyl)-
  • 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole
  • N-(p-Toluenesulfonyl)imidazole
  • 1-(p-Tolylsulfonyl)imidazole
  • 1-Tosylimidazole
  • N-Tosylimidazole
  • NSC 109348
  • NSC 669590
  • p-Toluenesulfonic acid imidazolide
  • 1-(4-Methylphenylsulfonyl)imidazole
  • 1-(4-Methylphenylsulfonyl)-1H-imidazole
  • 1-Tosyl-1H-imidazole

Work with 1-(p-Toluenesulfonyl)imidazole

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-Tosylpyrrole17639-64-462 % similar 1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole50257-39-159 % similar 1-(4-Methylphenylsulfonyl)-1,2,4-triazole13578-51-354 % similar 1-(4-Methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid106058-86-047 % similar P-Toluenesulfonamide70-55-346 % similar 1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole50257-40-445 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-344 % similar 1,1'-Sulphonylbis-1H-imidazole7189-69-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione327036-89-5 2-Amino-6-carbethoxybenzothiazole50850-93-6 3-Cyano-2-mercapto-6-methyl-isonicotinic acid ethyl ester56891-69-1

Elsewhere

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