ChemSpider 2D Image | 2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide | C17H17N3OS

2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide

  • Molecular FormulaC17H17N3OS
  • Average mass311.401 Da
  • Monoisotopic mass311.109222 Da
  • ChemSpider ID26022693

More details:






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

1H-Benzimidazole-2-ethanethioamide, α-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide [ACD/IUPAC Name]
2-(1H-Benzimidazol-2-yl)-3-(4-méthoxyphényl)propanethioamide [French] [ACD/IUPAC Name]
2-(1H-Benzimidazol-2-yl)-3-(4-methoxyphenyl)propanthioamid [German] [ACD/IUPAC Name]
[1260918-96-4]
1260918-96-4 [RN]
2-(1H-1,3-benzodiazol-2-yl)-3-(4-methoxyphenyl)propanethioamide
2-(1H-Benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl)propanethioamide
2-(1H-Benzoimidazol-2-yl)-3-(4-methoxy-phenyl)-thiopropionamide
BS-3364
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 583.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.5±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 70.42
ACD/KOC (pH 5.5): 654.83
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.31
ACD/KOC (pH 7.4): 960.71
Polar Surface Area: 96 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

Click to predict properties on the Chemicalize site






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