ChemSpider 2D Image | 2-[(3,4-Difluorobenzyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine | C13H9F2N3S2

2-[(3,4-Difluorobenzyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC13H9F2N3S2
  • Average mass309.358 Da
  • Monoisotopic mass309.020599 Da
  • ChemSpider ID41001810

More details:

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

2-[(3,4-Difluorbenzyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
2-[(3,4-Difluorobenzyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
2-[(3,4-Difluorobenzyl)sulfanyl]thiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4-amine, 2-[[(3,4-difluorophenyl)methyl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.6±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 463.63
ACD/KOC (pH 5.5): 2747.69
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 506.57
ACD/KOC (pH 7.4): 3002.17
Polar Surface Area: 105 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 203.0±5.0 cm3

Click to predict properties on the Chemicalize site


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