ChemSpider 2D Image | 4-(1,3-Benzothiazol-2-yl)-3-[(E)-(1H-imidazol-2-ylmethylene)amino]-1H-pyrazol-5-amine | C14H11N7S

4-(1,3-Benzothiazol-2-yl)-3-[(E)-(1H-imidazol-2-ylmethylene)amino]-1H-pyrazol-5-amine

  • Molecular FormulaC14H11N7S
  • Average mass309.349 Da
  • Monoisotopic mass309.079651 Da
  • ChemSpider ID58939707

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3,5-diamine, 4-(2-benzothiazolyl)-N3-[(1E)-1H-imidazol-2-ylmethylene]- [ACD/Index Name]
4-(1,3-Benzothiazol-2-yl)-3-[(E)-(1H-imidazol-2-ylmethylen)amino]-1H-pyrazol-5-amin [German] [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-yl)-3-[(E)-(1H-imidazol-2-ylmethylene)amino]-1H-pyrazol-5-amine [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-yl)-3-[(E)-(1H-imidazol-2-ylméthylène)amino]-1H-pyrazol-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 751.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.1±35.7 °C
Index of Refraction: 1.893
Molar Refractivity: 84.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.10
ACD/KOC (pH 5.5): 367.53
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.45
ACD/KOC (pH 7.4): 372.37
Polar Surface Area: 137 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 81.3±7.0 dyne/cm
Molar Volume: 183.5±7.0 cm3

Click to predict properties on the Chemicalize site


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