ChemSpider 2D Image | 3-(Methylsulfanyl)bicyclo[1.1.1]pentane-1-carboxylic acid | C7H10O2S

3-(Methylsulfanyl)bicyclo[1.1.1]pentane-1-carboxylic acid

  • Molecular FormulaC7H10O2S
  • Average mass158.218 Da
  • Monoisotopic mass158.040146 Da
  • ChemSpider ID92170121

More details:

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

3-(Methylsulfanyl)bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-(Methylsulfanyl)bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-(méthylsulfanyl)bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(methylthio)- [ACD/Index Name]
2387598-76-5 [RN]
3-methylsulfanylbicyclo[1.1.1]pentane-1-carboxylicacid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 287.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 57.9±6.0 kJ/mol
Flash Point: 127.6±27.3 °C
Index of Refraction: 1.603
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.30
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 116.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement