ChemSpider 2D Image | 3-(Phenylsulfanyl)benzenethiol | C12H10S2

3-(Phenylsulfanyl)benzenethiol

  • Molecular FormulaC12H10S2
  • Average mass218.338 Da
  • Monoisotopic mass218.022385 Da
  • ChemSpider ID35807835

More details:

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

3-(Phenylsulfanyl)benzenethiol [ACD/IUPAC Name]
3-(Phénylsulfanyl)benzènethiol [French] [ACD/IUPAC Name]
3-(Phenylsulfanyl)benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 3-(phenylthio)- [ACD/Index Name]
1833-12-1 [RN]
3-(Phenylsulfanyl)benzene-1-thiol
MFCD22055168

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

Density: 1.2±0.1 g/cm3
Boiling Point: 361.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 172.4±23.2 °C
Index of Refraction: 1.678
Molar Refractivity: 67.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1145.59
ACD/KOC (pH 5.5): 5073.16
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 73.01
ACD/KOC (pH 7.4): 323.34
Polar Surface Area: 64 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 178.5±5.0 cm3

Click to predict properties on the Chemicalize site


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