ChemSpider 2D Image | S-(2-Nitrophenyl) benzenecarbothioate | C13H9NO3S

S-(2-Nitrophenyl) benzenecarbothioate

  • Molecular FormulaC13H9NO3S
  • Average mass259.280 Da
  • Monoisotopic mass259.030304 Da
  • ChemSpider ID21140613

More details:

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

Benzènecarbothioate de S-(2-nitrophényle) [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, S-(2-nitrophenyl) ester [ACD/Index Name]
S-(2-Nitrophenyl) benzenecarbothioate [ACD/IUPAC Name]
S-(2-Nitrophenyl)-benzolcarbothioat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 384.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.4±25.7 °C
Index of Refraction: 1.663
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 322.92
ACD/KOC (pH 5.5): 2175.78
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 322.92
ACD/KOC (pH 7.4): 2175.78
Polar Surface Area: 88 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 189.7±5.0 cm3

Click to predict properties on the Chemicalize site


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