ChemSpider 2D Image | [(3-Chloro-4-pyridinyl)sulfanyl]acetic acid | C7H6ClNO2S

[(3-Chloro-4-pyridinyl)sulfanyl]acetic acid

  • Molecular FormulaC7H6ClNO2S
  • Average mass203.646 Da
  • Monoisotopic mass202.980774 Da
  • ChemSpider ID35490895

More details:

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

[(3-Chlor-4-pyridinyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
[(3-Chloro-4-pyridinyl)sulfanyl]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[(3-chloro-4-pyridinyl)thio]- [ACD/Index Name]
Acide [(3-chloro-4-pyridinyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
(3-Chloro-pyridin-4-ylsulfanyl)-acetic acid
1443286-12-1 [RN]
2-((3-chloropyridin-4-yl)thio)acetic acid
2-(3-chloropyridin-4-yl)sulfanylacetic acid
AKOS018399757
MFCD23780245

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 350.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.8±3.0 kJ/mol
    Flash Point: 165.6±26.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 48.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 68.8±5.0 dyne/cm
    Molar Volume: 135.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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