ChemSpider 2D Image | 1-(Bicyclo[3.1.0]hex-3-yl)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine | C12H14N4S

1-(Bicyclo[3.1.0]hex-3-yl)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC12H14N4S
  • Average mass246.331 Da
  • Monoisotopic mass246.093918 Da
  • ChemSpider ID28536373

More details:

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

1-(Bicyclo[3.1.0]hex-3-yl)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
1-(Bicyclo[3.1.0]hex-3-yl)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
1-(Bicyclo[3.1.0]hex-3-yl)-6-(méthylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine, 1-bicyclo[3.1.0]hex-3-yl-6-(methylthio)- [ACD/Index Name]
[1365170-02-0] [RN]
1-(1α,3α,5α)bicyclo[3.1.0]hex-3-yl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
1-(Bicyclo[3.1.0]hexan-3-yl)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
1-(Bicyclo[3.1.0]hexan-3-yl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
1365170-02-0 [RN]
MFCD23135351

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

Density: 1.6±0.1 g/cm3
Boiling Point: 454.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 228.5±26.5 °C
Index of Refraction: 1.872
Molar Refractivity: 68.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.27
ACD/KOC (pH 5.5): 524.36
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.36
ACD/KOC (pH 7.4): 525.41
Polar Surface Area: 69 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 150.3±7.0 cm3

Click to predict properties on the Chemicalize site


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