ChemSpider 2D Image | 1-Cyano-2-[4-(1H-imidazol-4-yl)butyl]-3-[2-(phenylsulfanyl)ethyl]guanidine | C17H22N6S

1-Cyano-2-[4-(1H-imidazol-4-yl)butyl]-3-[2-(phenylsulfanyl)ethyl]guanidine

  • Molecular FormulaC17H22N6S
  • Average mass342.462 Da
  • Monoisotopic mass342.162659 Da
  • ChemSpider ID24656723

More details:

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

1-Cyan-2-[4-(1H-imidazol-4-yl)butyl]-3-[2-(phenylsulfanyl)ethyl]guanidin [German] [ACD/IUPAC Name]
1-Cyano-2-[4-(1H-imidazol-4-yl)butyl]-3-[2-(phenylsulfanyl)ethyl]guanidine [ACD/IUPAC Name]
1-Cyano-2-[4-(1H-imidazol-4-yl)butyl]-3-[2-(phénylsulfanyl)éthyl]guanidine [French] [ACD/IUPAC Name]
Guanidine, N''-cyano-N-[4-(1H-imidazol-4-yl)butyl]-N'-[2-(phenylthio)ethyl]- [ACD/Index Name]
1192559-94-6 [RN]
1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine
UR-PI376

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.2±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.75
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 10.79
ACD/KOC (pH 7.4): 129.90
Polar Surface Area: 114 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 284.1±7.0 cm3

Click to predict properties on the Chemicalize site


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