ChemSpider 2D Image | S-(4-Methylphenyl) 2-(methylsulfanyl)benzenecarbothioate | C15H14OS2

S-(4-Methylphenyl) 2-(methylsulfanyl)benzenecarbothioate

  • Molecular FormulaC15H14OS2
  • Average mass274.401 Da
  • Monoisotopic mass274.048615 Da
  • ChemSpider ID35768111

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(Méthylsulfanyl)benzènecarbothioate de S-(4-méthylphényle) [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, 2-(methylthio)-, S-(4-methylphenyl) ester [ACD/Index Name]
S-(4-Methylphenyl) 2-(methylsulfanyl)benzenecarbothioate [ACD/IUPAC Name]
S-(4-Methylphenyl)-2-(methylsulfanyl)benzolcarbothioat [German] [ACD/IUPAC Name]
53271-43-5 [RN]
S-(4-Methylphenyl) 2-(methylsulfanyl)benzene-1-carbothioate
S-p-Tolyl 2-(methylthio)benzothioate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 398.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 168.1±17.9 °C
Index of Refraction: 1.649
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2787.47
ACD/KOC (pH 5.5): 10178.32
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2787.47
ACD/KOC (pH 7.4): 10178.32
Polar Surface Area: 68 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 223.8±5.0 cm3

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