ChemSpider 2D Image | (3-Cyano-4-fluorophenyl)[(2-methyl-1,3-thiazol-4-yl)methyl]cyanamide | C13H9FN4S

(3-Cyano-4-fluorophenyl)[(2-methyl-1,3-thiazol-4-yl)methyl]cyanamide

  • Molecular FormulaC13H9FN4S
  • Average mass272.301 Da
  • Monoisotopic mass272.053192 Da
  • ChemSpider ID30459634

More details:

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

(3-Cyan-4-fluorphenyl)[(2-methyl-1,3-thiazol-4-yl)methyl]cyanamid [German] [ACD/IUPAC Name]
(3-Cyano-4-fluorophenyl)[(2-methyl-1,3-thiazol-4-yl)methyl]cyanamide [ACD/IUPAC Name]
(3-Cyano-4-fluorophényl)[(2-méthyl-1,3-thiazol-4-yl)méthyl]cyanamide [French] [ACD/IUPAC Name]
Cyanamide, N-(3-cyano-4-fluorophenyl)-N-[(2-methyl-4-thiazolyl)methyl]- [ACD/Index Name]
1385419-77-1 [RN]
5-{cyano[(2-methyl-1,3-thiazol-4-yl)methyl]amino}-2-fluorobenzonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.33
ACD/KOC (pH 5.5): 289.97
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.34
ACD/KOC (pH 7.4): 290.00
Polar Surface Area: 92 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 196.7±5.0 cm3

Click to predict properties on the Chemicalize site


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