ChemSpider 2D Image | 2-[2-(Methylthio)-4-pyrimidinyl]propanedial | C8H8N2O2S

2-[2-(Methylthio)-4-pyrimidinyl]propanedial

  • Molecular FormulaC8H8N2O2S
  • Average mass196.226 Da
  • Monoisotopic mass196.030655 Da
  • ChemSpider ID24598868

More details:

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

2-(2-(methylthio)pyrimidin-4-yl)malonaldehyde
2-[2-(Methylthio)-4-pyrimidinyl]propanedial
77168-37-7 [RN]
[2-(Methylsulfanyl)pyrimidin-4-yl]propanedial
1-cycloheptenylboronic acid
2-[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]PROPANEDIAL
'77168-37-7 [EINECS]
Cyclohepten-1-ylboronic acid
MFCD12756163
Propanedial, 2-[2-(methylthio)-4-pyrimidinyl]- [ACD/Index Name]

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

CCRIS 4693 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 340.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 159.6±25.1 °C
Index of Refraction: 1.573
Molar Refractivity: 49.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 150.4±5.0 cm3

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