ChemSpider 2D Image | Methyl 2-((tert-butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate | C15H21NO4S

Methyl 2-((tert-butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

  • Molecular FormulaC15H21NO4S
  • Average mass311.397 Da
  • Monoisotopic mass311.119141 Da
  • ChemSpider ID28425122

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

1313712-54-7 [RN]
2-({[(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-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 2-((tert-butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Methyl 2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl 2-[(tert-butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[(tert-butoxy)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid methyl ester
2-tert-ButoxycarbonylAmino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 415.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 205.2±28.7 °C
    Index of Refraction: 1.572
    Molar Refractivity: 83.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.09
    ACD/LogD (pH 5.5): 5.13
    ACD/BCF (pH 5.5): 4635.41
    ACD/KOC (pH 5.5): 14648.03
    ACD/LogD (pH 7.4): 5.13
    ACD/BCF (pH 7.4): 4635.40
    ACD/KOC (pH 7.4): 14647.99
    Polar Surface Area: 93 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 252.6±3.0 cm3

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