Found 777 results

Search term: MF = 'C_{11}H_{18}OS'
ChemSpider 2D Image | S-Methyl 2,6,6-trimethyl-3-cyclohexene-1-carbothioate | C11H18OS

S-Methyl 2,6,6-trimethyl-3-cyclohexene-1-carbothioate

  • Molecular FormulaC11H18OS
  • Average mass198.325 Da
  • Monoisotopic mass198.107834 Da
  • ChemSpider ID28557652

More details:

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

2,6,6-Triméthyl-3-cyclohexène-1-carbothioate de S-méthyle [French] [ACD/IUPAC Name]
3-Cyclohexene-1-carbothioic acid, 2,6,6-trimethyl-, S-methyl ester [ACD/Index Name]
S-Methyl 2,6,6-trimethyl-3-cyclohexene-1-carbothioate [ACD/IUPAC Name]
S-Methyl-2,6,6-trimethyl-3-cyclohexen-1-carbothioat [German] [ACD/IUPAC Name]
799854-43-6 [RN]
S-Methyl 2,6,6-trimethylcyclohex-3-ene-1-carbothioate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 253.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 94.4±15.3 °C
Index of Refraction: 1.487
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.62
ACD/KOC (pH 5.5): 2359.38
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 361.62
ACD/KOC (pH 7.4): 2359.38
Polar Surface Area: 42 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 30.6±3.0 dyne/cm
Molar Volume: 203.4±3.0 cm3

Click to predict properties on the Chemicalize site


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