ChemSpider 2D Image | 1-[(3R,5S)-Adamantan-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone | C19H21NOS2

1-[(3R,5S)-Adamantan-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone

  • Molecular FormulaC19H21NOS2
  • Average mass343.506 Da
  • Monoisotopic mass343.106445 Da
  • ChemSpider ID57319547

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(3R,5S)-Adamantan-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanon [German] [ACD/IUPAC Name]
1-[(3R,5S)-Adamantan-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone [ACD/IUPAC Name]
1-[(3R,5S)-Adamantan-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(2-benzothiazolylthio)-1-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
1-(1-adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.2±29.3 °C
Index of Refraction: 1.676
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3681.22
ACD/KOC (pH 5.5): 12420.25
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3681.24
ACD/KOC (pH 7.4): 12420.31
Polar Surface Area: 84 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 259.9±5.0 cm3

Click to predict properties on the Chemicalize site


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