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Search term: OPADIZZNNSTJAR (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-({2-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]ethyl}amino)-2-pyrazinecarbonitrile | C11H12N6S

3-({2-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]ethyl}amino)-2-pyrazinecarbonitrile

  • Molecular FormulaC11H12N6S
  • Average mass260.318 Da
  • Monoisotopic mass260.084412 Da
  • ChemSpider ID22754585

More details:






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

2-Pyrazinecarbonitrile, 3-[[2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl]amino]- [ACD/Index Name]
3-({2-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]ethyl}amino)-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
3-({2-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]ethyl}amino)-2-pyrazinecarbonitrile [ACD/IUPAC Name]
3-({2-[(1-Méthyl-1H-imidazol-2-yl)sulfanyl]éthyl}amino)-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
3-({2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ETHYL}AMINO)PYRAZINE-2-CARBONITRILE
3-({2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}amino)-2-pyrazinecarbonitrile
3-({2-[(1-METHYLIMIDAZOL-2-YL)SULFANYL]ETHYL}AMINO)PYRAZINE-2-CARBONITRILE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.7±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 73.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 2.83
ACD/KOC (pH 5.5): 64.22
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.49
ACD/KOC (pH 7.4): 101.79
Polar Surface Area: 105 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 192.8±7.0 cm3

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