ChemSpider 2D Image | 3-Chloro-3'-(methylsulfanyl)-4-biphenylol | C13H11ClOS

3-Chloro-3'-(methylsulfanyl)-4-biphenylol

  • Molecular FormulaC13H11ClOS
  • Average mass250.744 Da
  • Monoisotopic mass250.021912 Da
  • ChemSpider ID26524309

More details:

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

[1,1'-Biphenyl]-4-ol, 3-chloro-3'-(methylthio)- [ACD/Index Name]
1261956-48-2 [RN]
3-Chlor-3'-(methylsulfanyl)-4-biphenylol [German] [ACD/IUPAC Name]
3-Chloro-3'-(methylsulfanyl)-4-biphenylol [ACD/IUPAC Name]
3-Chloro-3'-(méthylsulfanyl)-4-biphénylol [French] [ACD/IUPAC Name]
2-Chloro-4-(3-methylthiophenyl)phenol
3-Chloro-3'-(methylthio)-[1,1'-biphenyl]-4-ol
MFCD18315585
YA-4679

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

Density: 1.3±0.1 g/cm3
Boiling Point: 385.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 186.8±25.1 °C
Index of Refraction: 1.670
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1700.08
ACD/KOC (pH 5.5): 7141.41
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1522.93
ACD/KOC (pH 7.4): 6397.29
Polar Surface Area: 46 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 188.6±5.0 cm3

Click to predict properties on the Chemicalize site


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