chempirical

4,5-Diphenyl-2-imidazolethiol

C15H12N2SCAS 2349-58-8252.34 g/mol

Open in Covalent MOL file
HSNHN
Thiol

Properties

Molecular formula
C15H12N2S
Molar mass
252.34 g/mol
Exact mass
252.0721 Da
Melting point
316 °C
logP
4.03Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
2349-58-8
SMILES
Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIKey
GMTAWLUJHGIUPU-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)

Weigh it out

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

Names and synonyms

12 names
  • 2H-Imidazole-2-thione, 1,3-dihydro-4,5-diphenyl-
  • Imidazole-2-thiol, 4,5-diphenyl-
  • 4-Imidazoline-2-thione, 4,5-diphenyl-
  • 1,3-Dihydro-4,5-diphenyl-2H-imidazole-2-thione
  • 4,5-Diphenyl-2-mercaptoimidazole
  • 4,5-Diphenylmercaptoimidazole
  • 2-Mercapto-4,5-diphenylimidazole
  • 4,5-Diphenylimidazoline-2-thione
  • 4,5-Diphenyl-4-imidazoline-2-thione
  • 4,5-Diphenyl-1H-imidazole-2-thiol
  • 4,5-Diphenyl-1,3-dihydroimidazole-2-thione
  • 4,5-Diphenyl-2-imidazolethione

Work with 4,5-Diphenyl-2-imidazolethiol

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

2,4,5-Triphenylimidazole484-47-968 % similar 2-(O-Chlorophenyl)-4,5-diphenylimidazole1707-67-153 % similar 2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole1965-19-149 % similar Mercaptobenzimidazole583-39-142 % similar 4,5-Diphenylimidazole668-94-042 % similar 2,3-Diphenylquinoxaline1684-14-640 % similar 2-Phenylbenzimidazole716-79-039 % similar 4,5-Diphenyl-2(3H)-oxazolethione6670-13-939 % similar

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

Same formula

4-[1,1′-Biphenyl]-4-yl-2-thiazolamine2834-79-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook