ChemSpider 2D Image | 2-Methyl-N-[4-(methylsulfanyl)benzyl]-1H-benzimidazol-5-amine | C16H17N3S

2-Methyl-N-[4-(methylsulfanyl)benzyl]-1H-benzimidazol-5-amine

  • Molecular FormulaC16H17N3S
  • Average mass283.391 Da
  • Monoisotopic mass283.114319 Da
  • ChemSpider ID25993306

More details:

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

1H-Benzimidazol-5-amine, 2-methyl-N-[[4-(methylthio)phenyl]methyl]- [ACD/Index Name]
2-Methyl-N-[4-(methylsulfanyl)benzyl]-1H-benzimidazol-5-amin [German] [ACD/IUPAC Name]
2-Methyl-N-[4-(methylsulfanyl)benzyl]-1H-benzimidazol-5-amine [ACD/IUPAC Name]
2-Méthyl-N-[4-(méthylsulfanyl)benzyl]-1H-benzimidazol-5-amine [French] [ACD/IUPAC Name]
1157641-59-2 [RN]
2-METHYL-N-([4-(METHYLSULFANYL)PHENYL]METHYL)-1H-1,3-BENZODIAZOL-5-AMINE
2-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,3-benzodiazol-5-amine
MFCD12710076 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 284.9±25.9 °C
Index of Refraction: 1.687
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 12.53
ACD/KOC (pH 5.5): 73.80
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 327.86
ACD/KOC (pH 7.4): 1930.66
Polar Surface Area: 66 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 226.5±5.0 cm3

Click to predict properties on the Chemicalize site


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