ChemSpider 2D Image | 5-(5-Chloro-2-thienyl)-1,2,4-triazin-3-amine | C7H5ClN4S

5-(5-Chloro-2-thienyl)-1,2,4-triazin-3-amine

  • Molecular FormulaC7H5ClN4S
  • Average mass212.659 Da
  • Monoisotopic mass211.992340 Da
  • ChemSpider ID25994373

More details:






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

1,2,4-Triazin-3-amine, 5-(5-chloro-2-thienyl)- [ACD/Index Name]
5-(5-Chlor-2-thienyl)-1,2,4-triazin-3-amin [German] [ACD/IUPAC Name]
5-(5-Chloro-2-thienyl)-1,2,4-triazin-3-amine [ACD/IUPAC Name]
5-(5-Chloro-2-thiényl)-1,2,4-triazin-3-amine [French] [ACD/IUPAC Name]
1155047-26-9 [RN]
5-(5-chlorothiophen-2-yl)-1,2,4-triazin-3-amine
MFCD12170339 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 448.0±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.7±30.9 °C
Index of Refraction: 1.687
Molar Refractivity: 52.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.36
ACD/KOC (pH 5.5): 172.33
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.40
ACD/KOC (pH 7.4): 173.04
Polar Surface Area: 93 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 76.1±3.0 dyne/cm
Molar Volume: 138.1±3.0 cm3

Click to predict properties on the Chemicalize site






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