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Search term: PONBBVONKOVCEC-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate | C14H12BrNO3S2

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

  • Molecular FormulaC14H12BrNO3S2
  • Average mass386.284 Da
  • Monoisotopic mass384.944183 Da
  • ChemSpider ID30818608

More details:

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

2-({2-[(4-Bromophényl)sulfanyl]acétyl}amino)-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({[(4-bromophenyl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-2-({[(4-bromphenyl)sulfanyl]acetyl}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: 553.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.5±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1065.06
ACD/KOC (pH 5.5): 5112.04
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1065.05
ACD/KOC (pH 7.4): 5112.01
Polar Surface Area: 109 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 240.3±5.0 cm3

Click to predict properties on the Chemicalize site


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