ChemSpider 2D Image | N-(4-Cyanobenzyl)thioformamide | C9H8N2S

N-(4-Cyanobenzyl)thioformamide

  • Molecular FormulaC9H8N2S
  • Average mass176.238 Da
  • Monoisotopic mass176.040817 Da
  • ChemSpider ID35033788

More details:






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

Methanethioamide, N-[(4-cyanophenyl)methyl]- [ACD/Index Name]
N-(4-Cyanbenzyl)thioformamid [German] [ACD/IUPAC Name]
N-(4-Cyanobenzyl)thioformamide [ACD/IUPAC Name]
N-(4-Cyanobenzyl)thioformamide [French] [ACD/IUPAC Name]
N-[(4-Cyanophenyl)methyl]methanethioamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 338.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 158.8±30.7 °C
Index of Refraction: 1.624
Molar Refractivity: 51.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.52
ACD/KOC (pH 5.5): 212.45
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.52
ACD/KOC (pH 7.4): 212.44
Polar Surface Area: 68 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 146.0±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement