ChemSpider 2D Image | 4-Methylphenyl {[(4-methylphenyl)sulfonyl]methyl}carbamodithioate | C16H17NO2S3

4-Methylphenyl {[(4-methylphenyl)sulfonyl]methyl}carbamodithioate

  • Molecular FormulaC16H17NO2S3
  • Average mass351.507 Da
  • Monoisotopic mass351.042145 Da
  • ChemSpider ID21128490

More details:

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

{[(4-Méthylphényl)sulfonyl]méthyl}carbamodithioate de 4-méthylphényle [French] [ACD/IUPAC Name]
4-Methylphenyl {[(4-methylphenyl)sulfonyl]methyl}carbamodithioate [ACD/IUPAC Name]
4-Methylphenyl-{[(4-methylphenyl)sulfonyl]methyl}carbamodithioat [German] [ACD/IUPAC Name]
Carbamodithioic acid, N-[[(4-methylphenyl)sulfonyl]methyl]-, 4-methylphenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 119 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 279.6±7.0 cm3

Click to predict properties on the Chemicalize site


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