chempirical

Dithizone

C13H12N4SCAS 60-10-6256.33 g/mol

Open in Covalent MOL file
HSNNNHN
AzoHydrazoneSecondary amineThiol

Properties

Molecular formula
C13H12N4S
Molar mass
256.33 g/mol
Exact mass
256.0783 Da
Melting point
167 °C (decomposes)
logP
4.08Crippen estimate
Polar surface area
49.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
60-10-6
SMILES
SC(N=Nc1ccccc1)=NNc1ccccc1
InChIKey
UOFGSWVZMUXXIY-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)

Weigh it out

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

Names and synonyms

16 names · show all
  • Diazenecarbothioic acid, 2-phenyl-, 2-phenylhydrazide
  • Formic acid, (phenylazo)thio-, 2-phenylhydrazide
  • Diazenecarbothioic acid, phenyl-, 2-phenylhydrazide
  • Diphenylthiocarbazone
  • Dithizon
  • Diazenecarbohydrazonothioic acid, N,2-diphenyl-
  • (Phenylazo)thioformic acid 2-phenylhydrazide
  • DIZO
  • NSC 215189
  • NSC 4275
  • NSC 97262
  • NSC 97264
  • NSC 97353
  • NSC 99124
  • 1,5-Diphenyl-3-thiocarbazone
  • 1-Anilino-3-phenyliminothiourea

Reactions

Work with Dithizone

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

1,3,5-Triphenylformazan531-52-260 % similar Diphenylcarbazone538-62-560 % similar 2,2′-Diphenylcarbonothioic dihydrazide622-03-746 % similar 4-(Phenylazo)diphenylamine101-75-741 % similar Thiocarbanilide102-08-941 % similar Acetylphenylhydrazine114-83-041 % similar Diphenylcarbazide140-22-738 % similar Azobenzene103-33-338 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia