chempirical

P-Tolyl disulfide

C14H14S2CAS 103-19-5246.39 g/mol

Open in Covalent MOL file
SS
Disulfide

Properties

Molecular formula
C14H14S2
Molar mass
246.39 g/mol
Exact mass
246.0537 Da
Density
1.068 g/mL (at 111 °C)
Melting point
47.5 °C
Boiling point
210–215 °C
logP
5.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
103-19-5
SMILES
Cc1ccc(SSc2ccc(C)cc2)cc1
InChIKey
TZOVOULUMXXLOJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Names and synonyms

17 names · show all
  • Disulfide, bis(4-methylphenyl)
  • Bis(4-methylphenyl) disulfide
  • Bis(p-tolyl) disulfide
  • Di-p-Tolyl disulfide
  • 4-Methylphenyl disulfide
  • Biodylon
  • Kresulfin
  • Di-4-tolyl disulfide
  • Bis(4-tolyl) disulfide
  • Bis(p-methylphenyl) disulfide
  • NSC 994
  • NSC 677466
  • Bis(4-methylphenyl)disulfane
  • Di-(para-methylphenyl)disulfide
  • Di(4-methylphenyl) disulfide
  • 1,2-Di-p-tolyldisulfane
  • 1-Methyl-4-[(4-methylphenyl)disulfanyl]benzene

Work with P-Tolyl disulfide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

P-Xylene106-42-364 % similar Methyl P-tolyl sulfide623-13-263 % similar Di-P-tolyl613-33-253 % similar 1,2-Bis(4-methylphenyl)ethane538-39-647 % similar Toluene108-88-347 % similar 1,1′-Sulfinylbis[4-methylbenzene]1774-35-245 % similar Tri-P-tolylphosphine1038-95-545 % similar 4-Bromotoluene106-38-745 % similar

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

Same formula

Dibenzyl disulfide150-60-7 1,2-Bis(phenylthio)ethane622-20-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook