ChemSpider 2D Image | 2-(1-{[4-(2-Methyl-2-propanyl)-1,3-thiazol-2-yl]methyl}-2-pyrrolidinyl)-1,3-benzothiazole | C19H23N3S2

2-(1-{[4-(2-Methyl-2-propanyl)-1,3-thiazol-2-yl]methyl}-2-pyrrolidinyl)-1,3-benzothiazole

  • Molecular FormulaC19H23N3S2
  • Average mass357.536 Da
  • Monoisotopic mass357.133331 Da
  • ChemSpider ID30294275

More details:

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

2-(1-{[4-(2-Methyl-2-propanyl)-1,3-thiazol-2-yl]methyl}-2-pyrrolidinyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-(1-{[4-(2-Methyl-2-propanyl)-1,3-thiazol-2-yl]methyl}-2-pyrrolidinyl)-1,3-benzothiazole [ACD/IUPAC Name]
2-(1-{[4-(2-Méthyl-2-propanyl)-1,3-thiazol-2-yl]méthyl}-2-pyrrolidinyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[1-[[4-(1,1-dimethylethyl)-2-thiazolyl]methyl]-2-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.6±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 575.75
ACD/KOC (pH 5.5): 2434.48
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1624.94
ACD/KOC (pH 7.4): 6870.83
Polar Surface Area: 86 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 288.5±3.0 cm3

Click to predict properties on the Chemicalize site


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