ChemSpider 2D Image | 8-((2,4-Dimethylphenyl)thio)-3-(pent-4-yn-1-yl)-3H-purin-6-amine | C18H19N5S

8-((2,4-Dimethylphenyl)thio)-3-(pent-4-yn-1-yl)-3H-purin-6-amine

  • Molecular FormulaC18H19N5S
  • Average mass337.442 Da
  • Monoisotopic mass337.136108 Da
  • ChemSpider ID26328434

More details:

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

1454619-13-6 [RN]
3H-Purin-6-amine, 8-[(2,4-dimethylphenyl)thio]-3-(4-pentyn-1-yl)- [ACD/Index Name]
8-((2,4-Dimethylphenyl)thio)-3-(pent-4-yn-1-yl)-3H-purin-6-amine
8-[(2,4-Dimethylphenyl)sulfanyl]-3-(4-pentin-1-yl)-3H-purin-6-amin [German] [ACD/IUPAC Name]
8-[(2,4-Dimethylphenyl)sulfanyl]-3-(4-pentyn-1-yl)-3H-purin-6-amine [ACD/IUPAC Name]
8-[(2,4-Diméthylphényl)sulfanyl]-3-(4-pentyn-1-yl)-3H-purin-6-amine [French] [ACD/IUPAC Name]
8-[(2,4-dimethylphenyl)sulfanyl]-3-(pent-4-yn-1-yl)-3H-purin-6-amine
8-[(2,4-dimethylphenyl)sulfanyl]-3-(pent-4-yn-1-yl)purin-6-amine
8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine
[1454619-13-6] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 475.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 241.1±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.75
ACD/KOC (pH 5.5): 647.88
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.53
ACD/KOC (pH 7.4): 656.38
Polar Surface Area: 92 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 270.4±7.0 cm3

Click to predict properties on the Chemicalize site


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