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ChemSpider 2D Image | Methyl 2-({3-[(4-bromophenyl)sulfanyl]propanoyl}amino)-3-thiophenecarboxylate | C15H14BrNO3S2

Methyl 2-({3-[(4-bromophenyl)sulfanyl]propanoyl}amino)-3-thiophenecarboxylate

  • Molecular FormulaC15H14BrNO3S2
  • Average mass400.311 Da
  • Monoisotopic mass398.959839 Da
  • ChemSpider ID30818609

More details:

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

2-({3-[(4-Bromophényl)sulfanyl]propanoyl}amino)-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[3-[(4-bromophenyl)thio]-1-oxopropyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({3-[(4-bromophenyl)sulfanyl]propanoyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-2-({3-[(4-bromphenyl)sulfanyl]propanoyl}amino)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 574.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.2±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1679.66
ACD/KOC (pH 5.5): 7082.91
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1679.66
ACD/KOC (pH 7.4): 7082.90
Polar Surface Area: 109 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 256.5±5.0 cm3

Click to predict properties on the Chemicalize site


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