ChemSpider 2D Image | Methyl 3-{[(4-isopropylphenyl)sulfonyl](methyl)amino}-2-thiophenecarboxylate | C16H19NO4S2

Methyl 3-{[(4-isopropylphenyl)sulfonyl](methyl)amino}-2-thiophenecarboxylate

  • Molecular FormulaC16H19NO4S2
  • Average mass353.456 Da
  • Monoisotopic mass353.075562 Da
  • ChemSpider ID26001768

More details:

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

2-Thiophenecarboxylic acid, 3-[methyl[[4-(1-methylethyl)phenyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
3-{[(4-Isopropylphényl)sulfonyl](méthyl)amino}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[(4-isopropylphenyl)sulfonyl](methyl)amino}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[(4-isopropylphenyl)sulfonyl](methyl)amino}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
[1325304-90-2] [RN]
1325304-90-2 [RN]
3-[(4-Isopropyl-benzenesulfonyl)-methyl-amino]-thiophene-2-carboxylic acid methyl ester
AGN-PC-093R6U
AKOS005739275
BBL003127
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 481.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 244.7±31.5 °C
    Index of Refraction: 1.584
    Molar Refractivity: 91.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 3.38
    ACD/BCF (pH 5.5): 217.82
    ACD/KOC (pH 5.5): 1641.43
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 217.82
    ACD/KOC (pH 7.4): 1641.43
    Polar Surface Area: 100 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 49.6±3.0 dyne/cm
    Molar Volume: 274.5±3.0 cm3

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