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Search term: MF = 'C_{9}H_{12}N_{2}OS'
ChemSpider 2D Image | ASISCHEM C63401 | C9H12N2OS

ASISCHEM C63401

  • Molecular FormulaC9H12N2OS
  • Average mass196.269 Da
  • Monoisotopic mass196.067032 Da
  • ChemSpider ID21520694

More details:

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

2-(Butylsulfanyl)-5-pyrimidincarbaldehyd [German] [ACD/IUPAC Name]
2-(Butylsulfanyl)-5-pyrimidinecarbaldehyde [ACD/IUPAC Name]
2-(Butylsulfanyl)-5-pyrimidinecarbaldéhyde [French] [ACD/IUPAC Name]
2-(Butylsulfanyl)pyrimidine-5-carbaldehyde
2-(Butylthio)-5-pyrimidinecarboxaldehyde
5-Pyrimidinecarboxaldehyde, 2-(butylthio)- [ACD/Index Name]
915920-13-7 [RN]
ASISCHEM C63401
[915920-13-7] [RN]
2-(Butylthio)-5-pyrimidinecarbaldehyde
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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: 333.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 155.3±20.4 °C
    Index of Refraction: 1.550
    Molar Refractivity: 53.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 15.73
    ACD/KOC (pH 5.5): 250.13
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 15.73
    ACD/KOC (pH 7.4): 250.13
    Polar Surface Area: 68 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 52.4±5.0 dyne/cm
    Molar Volume: 168.9±5.0 cm3

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