ChemSpider 2D Image | 5-Chloro-N-(3-thienylmethyl)-1,3-benzothiazol-2-amine | C12H9ClN2S2

5-Chloro-N-(3-thienylmethyl)-1,3-benzothiazol-2-amine

  • Molecular FormulaC12H9ClN2S2
  • Average mass280.796 Da
  • Monoisotopic mass279.989563 Da
  • ChemSpider ID43423160

More details:

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

2-Benzothiazolamine, 5-chloro-N-(3-thienylmethyl)- [ACD/Index Name]
5-Chlor-N-(3-thienylmethyl)-1,3-benzothiazol-2-amin [German] [ACD/IUPAC Name]
5-Chloro-N-(3-thienylmethyl)-1,3-benzothiazol-2-amine [ACD/IUPAC Name]
5-Chloro-N-(3-thiénylméthyl)-1,3-benzothiazol-2-amine [French] [ACD/IUPAC 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: 442.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.5±31.5 °C
Index of Refraction: 1.769
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1478.76
ACD/KOC (pH 5.5): 6462.35
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1481.38
ACD/KOC (pH 7.4): 6473.77
Polar Surface Area: 81 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 187.8±3.0 cm3

Click to predict properties on the Chemicalize site


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