chempirical

1,1′-Sulfonyldiimidazole

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

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

5 names
  • 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′-Sulfonyldiimidazole

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)sulfonyl]-1H-imidazole29540-81-652 % similar 1-(P-Toluenesulfonyl)imidazole2232-08-844 % similar 1-[(2,4,6-Trimethylphenyl)sulfonyl]-1H-imidazole50257-39-142 % similar 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-imidazole50257-40-439 % similar 1-Methylimidazole616-47-735 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-432 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-332 % similar

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

Elsewhere

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