ChemSpider 2D Image | 1-(Methylsulfanyl)-4-[(~2~H_3_)methylsulfanyl]benzene | C8H7D3S2

1-(Methylsulfanyl)-4-[(2H3)methylsulfanyl]benzene

  • Molecular FormulaC8H7D3S2
  • Average mass173.314 Da
  • Monoisotopic mass173.041214 Da
  • ChemSpider ID8972619

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(Methylsulfanyl)-4-[(2H3)methylsulfanyl]benzene [ACD/IUPAC Name]
1-(Méthylsulfanyl)-4-[(2H3)méthylsulfanyl]benzène [French] [ACD/IUPAC Name]
1-(Methylsulfanyl)-4-[(2H3)methylsulfanyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1-(methylthio)-4-(methyl-d3-thio)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 265.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 116.8±19.7 °C
Index of Refraction: 1.608
Molar Refractivity: 52.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.81
ACD/KOC (pH 5.5): 1309.18
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.81
ACD/KOC (pH 7.4): 1309.18
Polar Surface Area: 51 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 150.5±5.0 cm3

Click to predict properties on the Chemicalize site


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