ChemSpider 2D Image | (Isopropylsulfanyl)acetonitrile | C5H9NS

(Isopropylsulfanyl)acetonitrile

  • Molecular FormulaC5H9NS
  • Average mass115.197 Da
  • Monoisotopic mass115.045570 Da
  • ChemSpider ID25905957

More details:

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

(Isopropylsulfanyl)acetonitril [German] [ACD/IUPAC Name]
(Isopropylsulfanyl)acetonitrile [ACD/IUPAC Name]
(Isopropylsulfanyl)acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(1-methylethyl)thio]- [ACD/Index Name]
(Isopropylthio)acetonitrile
2-(propan-2-ylsulfanyl)acetonitrile
23178-01-0 [RN]
2-propan-2-ylsulfanylacetonitrile
MFCD00041526 [MDL number]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 181.1±23.0 °C at 760 mmHg
    Vapour Pressure: 0.9±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 41.7±3.0 kJ/mol
    Flash Point: 63.4±22.6 °C
    Index of Refraction: 1.469
    Molar Refractivity: 33.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): 1.23
    ACD/BCF (pH 5.5): 5.08
    ACD/KOC (pH 5.5): 111.36
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 5.08
    ACD/KOC (pH 7.4): 111.36
    Polar Surface Area: 49 Å2
    Polarizability: 13.1±0.5 10-24cm3
    Surface Tension: 34.3±3.0 dyne/cm
    Molar Volume: 118.8±3.0 cm3

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