ChemSpider 2D Image | 5-Ethynyl-2-thiophenecarbaldehyde | C7H4OS

5-Ethynyl-2-thiophenecarbaldehyde

  • Molecular FormulaC7H4OS
  • Average mass136.171 Da
  • Monoisotopic mass135.998291 Da
  • ChemSpider ID24184334

More details:

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

10528935 [Beilstein]
206768-21-0 [RN]
2-Thiophenecarboxaldehyde, 5-ethynyl- [ACD/Index Name]
5-Ethinyl-2-thiophencarbaldehyd [German] [ACD/IUPAC Name]
5-Ethynyl-2-thiophenecarbaldehyde [ACD/IUPAC Name]
5-Éthynyl-2-thiophènecarbaldéhyde [French] [ACD/IUPAC Name]
5-Ethynylthiophene-2-carbaldehyde
T5SJ BVH E1UU1 [WLN]
[206768-21-0] [RN]
2,4-Bis(methylsulfanyl)pyridine [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 255.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.3±3.0 kJ/mol
    Flash Point: 108.1±23.2 °C
    Index of Refraction: 1.580
    Molar Refractivity: 36.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 8.56
    ACD/KOC (pH 5.5): 161.83
    ACD/LogD (pH 7.4): 1.53
    ACD/BCF (pH 7.4): 8.56
    ACD/KOC (pH 7.4): 161.83
    Polar Surface Area: 45 Å2
    Polarizability: 14.6±0.5 10-24cm3
    Surface Tension: 50.2±5.0 dyne/cm
    Molar Volume: 110.9±5.0 cm3

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