ChemSpider 2D Image | PU-WS13 | C17H20Cl2N6S

PU-WS13

  • Molecular FormulaC17H20Cl2N6S
  • Average mass411.352 Da
  • Monoisotopic mass410.084717 Da
  • ChemSpider ID29354272

More details:

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

1454619-14-7 [RN]
18c [PMID: 25901531]
8-((3,5-Dichlorophenyl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine
8-[(3,5-Dichlorophenyl)sulfanyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine [ACD/IUPAC Name]
8-[(3,5-Dichlorophényl)sulfanyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
8-[(3,5-dichlorophenyl)sulfanyl]-9-[3-(isopropylamino)propyl]purin-6-amine
8-[(3,5-dichlorophenyl)sulfanyl]-9-{3-[(propan-2-yl)amino]propyl}-9H-purin-6-amine
8-[(3,5-Dichlorphenyl)sulfanyl]-9-[3-(isopropylamino)propyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9H-Purine-9-propanamine, 6-amino-8-[(3,5-dichlorophenyl)thio]-N-(1-methylethyl)- [ACD/Index Name]
PU-WS13
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 617.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.39
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 14.40
Polar Surface Area: 107 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 278.5±7.0 cm3

Click to predict properties on the Chemicalize site


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