ChemSpider 2D Image | Methyl {3-chloro-4-[(dimethylcarbamothioyl)oxy]phenyl}acetate | C12H14ClNO3S

Methyl {3-chloro-4-[(dimethylcarbamothioyl)oxy]phenyl}acetate

  • Molecular FormulaC12H14ClNO3S
  • Average mass287.763 Da
  • Monoisotopic mass287.038300 Da
  • ChemSpider ID22547947

More details:






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

{3-Chloro-4-[(diméthylcarbamothioyl)oxy]phényl}acétate de méthyle [French] [ACD/IUPAC Name]
91373-91-0 [RN]
Benzeneacetic acid, 3-chloro-4-[(dimethylamino)thioxomethoxy]-, methyl ester [ACD/Index Name]
Methyl {3-chloro-4-[(dimethylcarbamothioyl)oxy]phenyl}acetate [ACD/IUPAC Name]
Methyl 3-chloro-4-[(dimethylamino)thioxomethoxy]benzeneacetate
Methyl-{3-chlor-4-[(dimethylcarbamothioyl)oxy]phenyl}acetat [German] [ACD/IUPAC Name]
[91373-91-0] [RN]
Methyl (3-chloro-4-dimethylthiocarbamoyloxyphenyl)acetate
Methyl (3-chloro-4-dimethylthiocarbamoyloxyphenyl)-acetate
methyl 2-(3-chloro-4-((dimethylcarbamothioyl)oxy)phenyl)acetate
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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: 355.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 168.6±30.7 °C
Index of Refraction: 1.577
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.38
ACD/KOC (pH 5.5): 583.70
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.38
ACD/KOC (pH 7.4): 583.71
Polar Surface Area: 71 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 223.4±3.0 cm3

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