ChemSpider 2D Image | 1-[(Methylsulfonyl)methyl]cyclopentanecarbothioamide | C8H15NO2S2

1-[(Methylsulfonyl)methyl]cyclopentanecarbothioamide

  • Molecular FormulaC8H15NO2S2
  • Average mass221.340 Da
  • Monoisotopic mass221.054413 Da
  • ChemSpider ID35499927

More details:






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

1-[(Methylsulfonyl)methyl]cyclopentancarbothioamid [German] [ACD/IUPAC Name]
1-[(Methylsulfonyl)methyl]cyclopentanecarbothioamide [ACD/IUPAC Name]
1-[(Méthylsulfonyl)méthyl]cyclopentanecarbothioamide [French] [ACD/IUPAC Name]
Cyclopentanecarbothioamide, 1-[(methylsulfonyl)methyl]- [ACD/Index Name]
1-(methylsulfonylmethyl)cyclopentane-1-carbothioamide
1708444-78-3 [RN]
1-Methanesulfonylmethyl-cyclopentanecarbothioic acid amide
MFCD27975109

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 421.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 209.0±26.5 °C
    Index of Refraction: 1.572
    Molar Refractivity: 56.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.10
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 27.30
    ACD/LogD (pH 7.4): 0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 27.30
    Polar Surface Area: 101 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 172.0±3.0 cm3

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