ChemSpider 2D Image | S-{5-[(3-Nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl} chloroethanethioate | C11H8ClN3O5S

S-{5-[(3-Nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl} chloroethanethioate

  • Molecular FormulaC11H8ClN3O5S
  • Average mass329.716 Da
  • Monoisotopic mass328.987305 Da
  • ChemSpider ID28430970

More details:

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

Chloroéthanethioate de S-{5-[(3-nitrophénoxy)méthyl]-1,3,4-oxadiazol-2-yle} [French] [ACD/IUPAC Name]
Ethanethioic acid, 2-chloro-, S-[5-[(3-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl] ester [ACD/Index Name]
S-{5-[(3-Nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl} chloroethanethioate [ACD/IUPAC Name]
S-{5-[(3-Nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl}-chlorethanthioat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 544.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.1±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.39
ACD/KOC (pH 5.5): 257.65
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.39
ACD/KOC (pH 7.4): 257.65
Polar Surface Area: 136 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 207.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement