Found 1235 results

Search term: MF = 'C_{15}H_{22}O_{2}S'
ChemSpider 2D Image | MFCD03419864 | C15H22O2S

MFCD03419864

  • Molecular FormulaC15H22O2S
  • Average mass266.399 Da
  • Monoisotopic mass266.134064 Da
  • ChemSpider ID21475984

More details:

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

6-(2-Méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl 6-tert-butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Ethyl-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
MFCD03419864
933949-35-0 [RN]
ethyl 6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 374.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.5±27.9 °C
Index of Refraction: 1.529
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7713.93
ACD/KOC (pH 5.5): 21091.25
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7713.93
ACD/KOC (pH 7.4): 21091.25
Polar Surface Area: 55 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site


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