ChemSpider 2D Image | 3-(4-Chloro-5-methyl-2-thienyl)-2-propynoic acid | C8H5ClO2S

3-(4-Chloro-5-methyl-2-thienyl)-2-propynoic acid

  • Molecular FormulaC8H5ClO2S
  • Average mass200.642 Da
  • Monoisotopic mass199.969879 Da
  • ChemSpider ID35486729

More details:

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

2-Propynoic acid, 3-(4-chloro-5-methyl-2-thienyl)- [ACD/Index Name]
3-(4-Chlor-5-methyl-2-thienyl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(4-Chloro-5-methyl-2-thienyl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(4-chloro-5-méthyl-2-thiényl)-2-propynoïque [French] [ACD/IUPAC Name]
(4-Chloro-5-methyl-thiophen-2-yl)-propynoic acid
1403565-71-8 [RN]
3-(4-chloro-5-methylthiophen-2-yl)prop-2-ynoic acid
3-(4-Chloro-5-methylthiophen-2-yl)propiolic acid
MFCD22548866

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 374.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.6±3.0 kJ/mol
    Flash Point: 180.3±27.9 °C
    Index of Refraction: 1.631
    Molar Refractivity: 47.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): -0.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 66.1±5.0 dyne/cm
    Molar Volume: 134.5±5.0 cm3

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