ChemSpider 2D Image | 2-Methyl-5-(methylsulfanyl)benzenethiol | C8H10S2

2-Methyl-5-(methylsulfanyl)benzenethiol

  • Molecular FormulaC8H10S2
  • Average mass170.295 Da
  • Monoisotopic mass170.022385 Da
  • ChemSpider ID26499409

More details:

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

1349716-16-0 [RN]
2-Methyl-5-(methylsulfanyl)benzenethiol [ACD/IUPAC Name]
2-Méthyl-5-(méthylsulfanyl)benzènethiol [French] [ACD/IUPAC Name]
2-Methyl-5-(methylsulfanyl)benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 2-methyl-5-(methylthio)- [ACD/Index Name]
2-Methyl-5-(methylthio)benzenethiol
MFCD20233085

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

Density: 1.1±0.1 g/cm3
Boiling Point: 259.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 110.7±24.0 °C
Index of Refraction: 1.606
Molar Refractivity: 51.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 205.66
ACD/KOC (pH 5.5): 1529.41
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 23.65
ACD/KOC (pH 7.4): 175.86
Polar Surface Area: 64 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 150.4±5.0 cm3

Click to predict properties on the Chemicalize site


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