ChemSpider 2D Image | 4-Methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2-pyrimidinamine | C9H13N7S

4-Methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2-pyrimidinamine

  • Molecular FormulaC9H13N7S
  • Average mass251.311 Da
  • Monoisotopic mass251.095306 Da
  • ChemSpider ID29471395

More details:

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

2-Pyrimidinamine, 4-methyl-N-[2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl]- [ACD/Index Name]
4-Methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-Methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2-pyrimidinamine [ACD/IUPAC Name]
4-Méthyl-N-{2-[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]éthyl}-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}pyrimidin-2-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 489.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.7±31.5 °C
Index of Refraction: 1.728
Molar Refractivity: 68.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 47.34
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 49.12
Polar Surface Area: 107 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 172.4±7.0 cm3

Click to predict properties on the Chemicalize site


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