ChemSpider 2D Image | N-[(5-Chloro-2-thienyl)methyl]-1,3-benzothiazol-6-amine | C12H9ClN2S2

N-[(5-Chloro-2-thienyl)methyl]-1,3-benzothiazol-6-amine

  • Molecular FormulaC12H9ClN2S2
  • Average mass280.796 Da
  • Monoisotopic mass279.989563 Da
  • ChemSpider ID34518315

More details:

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

6-Benzothiazolamine, N-[(5-chloro-2-thienyl)methyl]- [ACD/Index Name]
N-[(5-Chlor-2-thienyl)methyl]-1,3-benzothiazol-6-amin [German] [ACD/IUPAC Name]
N-[(5-Chloro-2-thienyl)methyl]-1,3-benzothiazol-6-amine [ACD/IUPAC Name]
N-[(5-Chloro-2-thiényl)méthyl]-1,3-benzothiazol-6-amine [French] [ACD/IUPAC Name]
1623131-27-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 436.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 218.0±25.9 °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: 3.24
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 357.75
ACD/KOC (pH 5.5): 2340.94
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 357.94
ACD/KOC (pH 7.4): 2342.17
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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