chempirical

1,1'-Sulphonylbis-1H-imidazole

C6H6N4O2SCAS 7189-69-7198.20 g/mol

Open in Covalent MOL file
OSONNNN

Properties

Molecular formula
C6H6N4O2S
Molar mass
198.20 g/mol
Exact mass
198.0211 Da
Melting point
140.1–140.6 °C
logP
-0.28Crippen estimate
Polar surface area
69.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
7189-69-7
SMILES
O=S(=O)(n1ccnc1)n1ccnc1
InChIKey
ZLKNPIVTWNMMMH-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4O2S/c11-13(12,9-3-1-7-5-9)10-4-2-8-6-10/h1-6H

Weigh it out

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

Names and synonyms

6 names
  • 1,1′-Sulfonyldiimidazole
  • 1H-Imidazole, 1,1′-sulfonylbis-
  • Imidazole, 1,1′-sulfonyldi-
  • 1,1′-Sulfonylbis[1H-imidazole]
  • N,N′-Sulfuryldiimidazole
  • 1-Imidazol-1-ylsulfonylimidazole

Work with 1,1'-Sulphonylbis-1H-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-(Methylsulfonyl)-1H-imidazole40736-26-358 % similar 1-[(Trifluoromethyl)sulphonyl]-1H-imidazole29540-81-652 % similar Imidazole-1-sulfonic acid dimethyl amine78162-58-052 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-844 % similar Imidazole-1-sulfonyl azide hydrochloride952234-36-543 % similar 1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole50257-39-142 % similar 1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole50257-40-439 % similar 1,1'-Oxalyldiimidazole18637-83-736 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook