ChemSpider 2D Image | S-Phenyl 4-cyanobenzenecarbothioate | C14H9NOS

S-Phenyl 4-cyanobenzenecarbothioate

  • Molecular FormulaC14H9NOS
  • Average mass239.292 Da
  • Monoisotopic mass239.040482 Da
  • ChemSpider ID21126756

More details:

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

4-Cyanobenzènecarbothioate de S-phényle [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, 4-cyano-, S-phenyl ester [ACD/Index Name]
S-Phenyl 4-cyanobenzenecarbothioate [ACD/IUPAC Name]
S-Phenyl-4-cyanbenzolcarbothioat [German] [ACD/IUPAC Name]
97839-42-4 [RN]
S-Phenyl 4-cyanobenzene-1-carbothioate
S-Phenyl 4-cyanobenzothioate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.3±25.7 °C
Index of Refraction: 1.654
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.64
ACD/KOC (pH 5.5): 1254.59
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.64
ACD/KOC (pH 7.4): 1254.59
Polar Surface Area: 66 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 187.7±5.0 cm3

Click to predict properties on the Chemicalize site


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