ChemSpider 2D Image | 4-(1,3-Benzothiazol-2-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine | C12H8N6S2

4-(1,3-Benzothiazol-2-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

  • Molecular FormulaC12H8N6S2
  • Average mass300.362 Da
  • Monoisotopic mass300.025177 Da
  • ChemSpider ID41280286

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-(2-benzothiazolylthio)- [ACD/Index Name]
4-(1,3-Benzothiazol-2-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amin [German] [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 671.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.0±34.3 °C
Index of Refraction: 1.891
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.35
ACD/KOC (pH 5.5): 419.12
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.27
ACD/KOC (pH 7.4): 418.11
Polar Surface Area: 147 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 130.4±5.0 dyne/cm
Molar Volume: 176.4±5.0 cm3

Click to predict properties on the Chemicalize site


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