ChemSpider 2D Image | (2-Chloro-4-pyridinyl)methanethiol | C6H6ClNS

(2-Chloro-4-pyridinyl)methanethiol

  • Molecular FormulaC6H6ClNS
  • Average mass159.637 Da
  • Monoisotopic mass158.990952 Da
  • ChemSpider ID32840756

More details:

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

(2-Chlor-4-pyridinyl)methanthiol [German] [ACD/IUPAC Name]
(2-Chloro-4-pyridinyl)methanethiol [ACD/IUPAC Name]
(2-Chloro-4-pyridinyl)méthanethiol [French] [ACD/IUPAC Name]
4-Pyridinemethanethiol, 2-chloro- [ACD/Index Name]
(2-(chloro)pyridin-4-yl)methylthio
(2-chloropyridin-4-yl)methanethiol
(2-Chloro-pyridin-4-yl)-methanethiol
1708168-06-2 [RN]
MFCD26128289
SCHEMBL451167

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 271.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.0±3.0 kJ/mol
    Flash Point: 118.2±23.2 °C
    Index of Refraction: 1.588
    Molar Refractivity: 42.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.51
    ACD/KOC (pH 5.5): 312.42
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 14.16
    ACD/KOC (pH 7.4): 205.67
    Polar Surface Area: 52 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 46.3±3.0 dyne/cm
    Molar Volume: 125.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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