ChemSpider 2D Image | [4-(Benzyloxy)phenyl]methanethiol | C14H14OS

[4-(Benzyloxy)phenyl]methanethiol

  • Molecular FormulaC14H14OS
  • Average mass230.325 Da
  • Monoisotopic mass230.076538 Da
  • ChemSpider ID24750752

More details:






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

[4-(Benzyloxy)phenyl]methanethiol [ACD/IUPAC Name]
[4-(Benzyloxy)phényl]méthanethiol [French] [ACD/IUPAC Name]
[4-(Benzyloxy)phenyl]methanthiol [German] [ACD/IUPAC Name]
Benzenemethanethiol, 4-(phenylmethoxy)- [ACD/Index Name]
(4-phenylmethoxyphenyl)methanethiol
80192-91-2 [RN]
atoms 16 bonds 17
MFCD17168358

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 371.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 178.2±22.3 °C
Index of Refraction: 1.603
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1075.11
ACD/KOC (pH 5.5): 5146.45
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1071.68
ACD/KOC (pH 7.4): 5130.03
Polar Surface Area: 48 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 204.5±3.0 cm3

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