ChemSpider 2D Image | 4'-Methyl-4-biphenylcarbothioamide | C14H13NS

4'-Methyl-4-biphenylcarbothioamide

  • Molecular FormulaC14H13NS
  • Average mass227.325 Da
  • Monoisotopic mass227.076874 Da
  • ChemSpider ID25471004

More details:

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

[1,1'-Biphenyl]-4-carbothioamide, 4'-methyl- [ACD/Index Name]
4'-methyl[1,1'-biphenyl]-4-carbothioamide
4'-Methyl-4-biphenylcarbothioamid [German] [ACD/IUPAC Name]
4'-Methyl-4-biphenylcarbothioamide [ACD/IUPAC Name]
4'-Méthyl-4-biphénylcarbothioamide [French] [ACD/IUPAC Name]
4'-Methylbiphenyl-4-thiocarboxamide
MFCD11916212 [MDL number]
1176544-48-1 [RN]
4-(4-methylphenyl)benzenecarbothioamide
4'-Methyl-[1,1'-biphenyl]-4-carbothioamide
  • Miscellaneous

    • Safety:

      26-37-60 Alfa Aesar H54511
      36/37/38 Alfa Aesar H54511
      H315-H319-H335 Alfa Aesar H54511
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H54511
      Warning Alfa Aesar H54511
      WARNING: Irritates lungs, eyes, skin Alfa Aesar H54511

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

Density: 1.2±0.1 g/cm3
Boiling Point: 380.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.0±28.7 °C
Index of Refraction: 1.648
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.51
ACD/KOC (pH 5.5): 1168.58
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.51
ACD/KOC (pH 7.4): 1168.64
Polar Surface Area: 58 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 197.6±3.0 cm3

Click to predict properties on the Chemicalize site


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