ChemSpider 2D Image | methyl 2-[bis(tert-butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C20H29NO6S

methyl 2-[bis(tert-butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC20H29NO6S
  • Average mass411.512 Da
  • Monoisotopic mass411.171570 Da
  • ChemSpider ID29341187

More details:

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

1313712-71-8 [RN]
2-(Bis{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 2-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
methyl 2-[bis(tert-butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{bis[(tert-butoxy)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Methyl-2-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-N,N'-bis(tert-Butoxycarbonyl)aMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid Methyl
2-n,n-bis(tert-butoxycarbonyl)amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
2-N,N'-bis(tert-Butoxycarbonyl)amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 508.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 261.2±32.9 °C
    Index of Refraction: 1.547
    Molar Refractivity: 108.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.38
    ACD/LogD (pH 5.5): 5.30
    ACD/BCF (pH 5.5): 6231.61
    ACD/KOC (pH 5.5): 18103.65
    ACD/LogD (pH 7.4): 5.30
    ACD/BCF (pH 7.4): 6231.61
    ACD/KOC (pH 7.4): 18103.65
    Polar Surface Area: 110 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 44.8±3.0 dyne/cm
    Molar Volume: 340.7±3.0 cm3

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