ChemSpider 2D Image | Methyl 5-cyano-1,3-benzothiazole-2-carboxylate | C10H6N2O2S

Methyl 5-cyano-1,3-benzothiazole-2-carboxylate

  • Molecular FormulaC10H6N2O2S
  • Average mass218.232 Da
  • Monoisotopic mass218.014999 Da
  • ChemSpider ID62702551

More details:

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

2-Benzothiazolecarboxylic acid, 5-cyano-, methyl ester [ACD/Index Name]
5-Cyano-1,3-benzothiazole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-cyano-1,3-benzothiazole-2-carboxylate [ACD/IUPAC Name]
Methyl-5-cyan-1,3-benzothiazol-2-carboxylat [German] [ACD/IUPAC Name]
2231676-36-9 [RN]
Methyl [ACD/Index Name] [ACD/IUPAC Name]
Methyl 5-cyanobenzo[d]thiazole-2-carboxylate
MFCD31561273

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

Density: 1.4±0.1 g/cm3
Boiling Point: 381.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.5±25.7 °C
Index of Refraction: 1.652
Molar Refractivity: 55.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.72
ACD/KOC (pH 5.5): 250.04
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.72
ACD/KOC (pH 7.4): 250.04
Polar Surface Area: 91 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 153.1±5.0 cm3

Click to predict properties on the Chemicalize site


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