ChemSpider 2D Image | 4-cyano-4-(ethylsulfanylthiocarbonylsulfanyl)pentanoic acid | C9H13NO2S3

4-cyano-4-(ethylsulfanylthiocarbonylsulfanyl)pentanoic acid

  • Molecular FormulaC9H13NO2S3
  • Average mass263.400 Da
  • Monoisotopic mass263.010834 Da
  • ChemSpider ID24785890

More details:

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

4-Cyan-4-{[(ethylsulfanyl)carbonothioyl]sulfanyl}pentansäure [German] [ACD/IUPAC Name]
4-cyano-4-(ethylsulfanylthiocarbonylsulfanyl)pentanoic acid
4-Cyano-4-{[(ethylsulfanyl)carbonothioyl]sulfanyl}pentanoic acid [ACD/IUPAC Name]
Acide 4-cyano-4-{[(éthylsulfanyl)carbonothioyl]sulfanyl}pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-cyano-4-[[(ethylthio)thioxomethyl]thio]- [ACD/Index Name]
1137725-46-2 [RN]
4-Cyano-4-(((ethylthio)carbonothioyl)thio)pentanoic acid
4-cyano-4-(ethylsulfanylthiocarbonyl)sulfanyl pentanoic acid
4-cyano-4-(ethylthiocarbonothioylthio) pentanoic acid
4-Cyano-4-(ethylthiocarbonothioylthio)pentanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 490.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 82.9±6.0 kJ/mol
    Flash Point: 250.6±28.7 °C
    Index of Refraction: 1.608
    Molar Refractivity: 68.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 2.78
    ACD/KOC (pH 5.5): 28.03
    ACD/LogD (pH 7.4): -0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 144 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 65.4±3.0 dyne/cm
    Molar Volume: 198.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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