ChemSpider 2D Image | 3,4-dimethoxybenzyl thiol | C9H12O2S

3,4-dimethoxybenzyl thiol

  • Molecular FormulaC9H12O2S
  • Average mass184.255 Da
  • Monoisotopic mass184.055801 Da
  • ChemSpider ID24776077

More details:

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

(3,4-Dimethoxyphenyl)methanethiol [ACD/IUPAC Name]
(3,4-Diméthoxyphényl)méthanethiol [French] [ACD/IUPAC Name]
(3,4-Dimethoxyphenyl)methanthiol [German] [ACD/IUPAC Name]
3,4-DIMETHOXYBENZYL MERCAPTAN
3,4-dimethoxybenzyl thiol
54810-59-2 [RN]
Benzenemethanethiol, 3,4-dimethoxy- [ACD/Index Name]
MFCD00068472
NS-01653

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 278.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 49.6±3.0 kJ/mol
    Flash Point: 122.0±23.2 °C
    Index of Refraction: 1.537
    Molar Refractivity: 52.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.09
    ACD/KOC (pH 5.5): 462.24
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 36.79
    ACD/KOC (pH 7.4): 458.48
    Polar Surface Area: 57 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 167.8±3.0 cm3

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