ChemSpider 2D Image | 2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1,3-benzothiazole | C19H14N2O2S3

2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1,3-benzothiazole

  • Molecular FormulaC19H14N2O2S3
  • Average mass398.522 Da
  • Monoisotopic mass398.021729 Da
  • ChemSpider ID22732404

More details:

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

2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-1,3-benzothiazole [ACD/IUPAC Name]
2-({[2-(1,3-Benzodioxol-5-ylméthyl)-1,3-thiazol-4-yl]méthyl}sulfanyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[[[2-(1,3-benzodioxol-5-ylmethyl)-4-thiazolyl]methyl]thio]- [ACD/Index 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: 595.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 313.7±32.9 °C
Index of Refraction: 1.761
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1973.02
ACD/KOC (pH 5.5): 7947.77
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1973.11
ACD/KOC (pH 7.4): 7948.15
Polar Surface Area: 126 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 264.5±5.0 cm3

Click to predict properties on the Chemicalize site


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