ChemSpider 2D Image | 2-Cyclopropyl-N-[4-(trifluoromethyl)-2-pyrimidinyl]-1,3-benzothiazol-6-amine | C15H11F3N4S

2-Cyclopropyl-N-[4-(trifluoromethyl)-2-pyrimidinyl]-1,3-benzothiazol-6-amine

  • Molecular FormulaC15H11F3N4S
  • Average mass336.335 Da
  • Monoisotopic mass336.065643 Da
  • ChemSpider ID30104921

More details:

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

2-Cyclopropyl-N-[4-(trifluormethyl)-2-pyrimidinyl]-1,3-benzothiazol-6-amin [German] [ACD/IUPAC Name]
2-Cyclopropyl-N-[4-(trifluoromethyl)-2-pyrimidinyl]-1,3-benzothiazol-6-amine [ACD/IUPAC Name]
2-Cyclopropyl-N-[4-(trifluorométhyl)-2-pyrimidinyl]-1,3-benzothiazol-6-amine [French] [ACD/IUPAC Name]
6-Benzothiazolamine, 2-cyclopropyl-N-[4-(trifluoromethyl)-2-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 488.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.1±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 331.65
ACD/KOC (pH 5.5): 2217.56
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 331.73
ACD/KOC (pH 7.4): 2218.11
Polar Surface Area: 79 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 220.2±3.0 cm3

Click to predict properties on the Chemicalize site


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