ChemSpider 2D Image | (Methylsulfanyl)(2-~2~H)benzene | C7H7DS

(Methylsulfanyl)(2-2H)benzene

  • Molecular FormulaC7H7DS
  • Average mass125.210 Da
  • Monoisotopic mass125.040947 Da
  • ChemSpider ID103877368

  • Non-standard isotope - Non-standard isotope

More details:

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

(Methylsulfanyl)(2-2H)benzene [ACD/IUPAC Name]
(Méthylsulfanyl)(2-2H)benzène [French] [ACD/IUPAC Name]
(Methylsulfanyl)(2-2H)benzol [German] [ACD/IUPAC Name]
823-46-1 [RN]
Benzene-d, 2-(methylthio)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 193.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 57.2±0.0 °C
Index of Refraction: 1.569
Molar Refractivity: 39.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.06
ACD/KOC (pH 5.5): 794.66
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.06
ACD/KOC (pH 7.4): 794.66
Polar Surface Area: 25 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 36.8±5.0 dyne/cm
Molar Volume: 120.2±5.0 cm3

Click to predict properties on the Chemicalize site


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