Found 2758 results

Search term: MF = 'C_{14}H_{18}ClNO_{3}S'
ChemSpider 2D Image | Methyl 2-[(2-chloropropanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C14H18ClNO3S

Methyl 2-[(2-chloropropanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC14H18ClNO3S
  • Average mass315.816 Da
  • Monoisotopic mass315.069580 Da
  • ChemSpider ID27444444

More details:

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

2-[(2-Chloropropanoyl)amino]-6-méthyl-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[(2-chloro-1-oxopropyl)amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester [ACD/Index Name]
Methyl 2-[(2-chloropropanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-[(2-chlorpropanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
1365963-69-4 [RN]
methyl 2-(2-chloropropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MFCD22056577 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 510.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.2±3.0 kJ/mol
    Flash Point: 262.8±30.1 °C
    Index of Refraction: 1.581
    Molar Refractivity: 81.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.70
    ACD/LogD (pH 5.5): 3.86
    ACD/BCF (pH 5.5): 509.19
    ACD/KOC (pH 5.5): 3014.29
    ACD/LogD (pH 7.4): 3.86
    ACD/BCF (pH 7.4): 509.18
    ACD/KOC (pH 7.4): 3014.25
    Polar Surface Area: 84 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 245.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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