ChemSpider 2D Image | Colophonate | C6H9ClNO2PS3

Colophonate

  • Molecular FormulaC6H9ClNO2PS3
  • Average mass289.763 Da
  • Monoisotopic mass288.922150 Da
  • ChemSpider ID40129294

More details:






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

50398-69-1 [RN]
colophonate [French]
Colophonate
Phosphorodithioate de S-[(5-chloro-1,3-thiazol-2-yl)méthyle] et de O,O-diméthyle [French] [ACD/IUPAC Name]
Phosphorodithioic acid, S-[(5-chloro-2-thiazolyl)methyl] O,O-dimethyl ester [ACD/Index Name]
S-[(5-Chlor-1,3-thiazol-2-yl)methyl]-O,O-dimethylphosphorodithioat [German] [ACD/IUPAC Name]
S-[(5-Chloro-1,3-thiazol-2-yl)methyl] O,O-dimethyl phosphorodithioate [ACD/IUPAC Name]
колофонат [Russian]
噻唑硫磷 [Chinese]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 341.8±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 160.5±29.6 °C
Index of Refraction: 1.619
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.21
ACD/KOC (pH 5.5): 1561.86
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.22
ACD/KOC (pH 7.4): 1561.87
Polar Surface Area: 127 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 192.1±3.0 cm3

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