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Search term: MF = 'C_{9}H_{12}N_{2}OS'
ChemSpider 2D Image | CHEMBRDG-BB 4022158 | C9H12N2OS

CHEMBRDG-BB 4022158

  • Molecular FormulaC9H12N2OS
  • Average mass196.269 Da
  • Monoisotopic mass196.067032 Da
  • ChemSpider ID21612567

More details:

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

2-(BUTAN-2-YLSULFANYL)PYRIMIDINE-5-CARBALDEHYDE
2-(sec-Butylsulfanyl)-5-pyrimidincarbaldehyd [German] [ACD/IUPAC Name]
2-(sec-Butylsulfanyl)-5-pyrimidinecarbaldehyde [ACD/IUPAC Name]
2-(sec-Butylsulfanyl)-5-pyrimidinecarbaldéhyde [French] [ACD/IUPAC Name]
2-(sec-Butylsulfanyl)pyrimidine-5-carbaldehyde
2-(sec-butylthio)pyrimidine-5-carbaldehyde
2-[(1-Methylpropyl)thio]-5-pyrimidinecarboxaldehyde
5-Pyrimidinecarboxaldehyde, 2-[(1-methylpropyl)thio]- [ACD/Index Name]
915920-24-0 [RN]
CHEMBRDG-BB 4022158
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 319.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.1±3.0 kJ/mol
    Flash Point: 146.8±20.4 °C
    Index of Refraction: 1.548
    Molar Refractivity: 53.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 14.22
    ACD/KOC (pH 5.5): 232.72
    ACD/LogD (pH 7.4): 1.82
    ACD/BCF (pH 7.4): 14.22
    ACD/KOC (pH 7.4): 232.72
    Polar Surface Area: 68 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 50.8±5.0 dyne/cm
    Molar Volume: 169.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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