ChemSpider 2D Image | 6-[(4-Chloro-2-butyn-1-yl)sulfanyl]-3H-purin-2-amine | C9H8ClN5S

6-[(4-Chloro-2-butyn-1-yl)sulfanyl]-3H-purin-2-amine

  • Molecular FormulaC9H8ClN5S
  • Average mass253.711 Da
  • Monoisotopic mass253.018890 Da
  • ChemSpider ID32769103

More details:

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

6-[(4-Chlor-2-butin-1-yl)sulfanyl]-3H-purin-2-amin [German] [ACD/IUPAC Name]
6-[(4-Chloro-2-butyn-1-yl)sulfanyl]-3H-purin-2-amine [ACD/IUPAC Name]
6-[(4-Chloro-2-butyn-1-yl)sulfanyl]-3H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-[(4-chloro-2-butyn-1-yl)thio]- [ACD/Index Name]
1370024-93-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.6±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.10
ACD/KOC (pH 5.5): 378.60
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.18
ACD/KOC (pH 7.4): 366.21
Polar Surface Area: 106 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 160.2±5.0 cm3

Click to predict properties on the Chemicalize site


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