ChemSpider 2D Image | 8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine | C7H5ClN4S

8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine

  • Molecular FormulaC7H5ClN4S
  • Average mass212.659 Da
  • Monoisotopic mass211.992340 Da
  • ChemSpider ID13800979

More details:






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

8-Chlor-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidin [German] [ACD/IUPAC Name]
8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine [ACD/IUPAC Name]
8-Chloro-2-(méthylsulfanyl)pyrimido[5,4-d]pyrimidine [French] [ACD/IUPAC Name]
Pyrimido[5,4-d]pyrimidine, 8-chloro-2-(methylthio)- [ACD/Index Name]
[176637-10-8]
176637-10-8 [RN]
2411-83-8 [RN]
4-chloro-6-(methylthio)pyrimido[5,4-d]pyrimidine
4-chloro-6-methylsulfanylpyrimido[5,4-d]pyrimidine
4-chloro-6-methylthio-pyrimido[5,4-d]pyrimidine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 416.0±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 205.4±29.6 °C
Index of Refraction: 1.699
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 67.62
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 67.62
Polar Surface Area: 77 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 137.3±5.0 cm3

Click to predict properties on the Chemicalize site






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