ChemSpider 2D Image | (1Z)-1-{3-[(1E)-1-Cyclododecen-1-yl]-1,3-benzothiazol-2(3H)-ylidene}-3-methyl-2-butanone | C24H33NOS

(1Z)-1-{3-[(1E)-1-Cyclododecen-1-yl]-1,3-benzothiazol-2(3H)-ylidene}-3-methyl-2-butanone

  • Molecular FormulaC24H33NOS
  • Average mass383.590 Da
  • Monoisotopic mass383.228271 Da
  • ChemSpider ID4981596

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-1-{3-[(1E)-1-Cyclododecen-1-yl]-1,3-benzothiazol-2(3H)-yliden}-3-methyl-2-butanon [German] [ACD/IUPAC Name]
(1Z)-1-{3-[(1E)-1-Cyclododecen-1-yl]-1,3-benzothiazol-2(3H)-ylidene}-3-methyl-2-butanone [ACD/IUPAC Name]
(1Z)-1-{3-[(1E)-1-Cyclododécén-1-yl]-1,3-benzothiazol-2(3H)-ylidène}-3-méthyl-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 1-[3-[(1E)-1-cyclododecen-1-yl]-2(3H)-benzothiazolylidene]-3-methyl-, (1Z)- [ACD/Index Name]
2-Butanone, 1-[3-(1-cyclododecen-1-yl)-2(3H)-benzothiazolylidene]-3-methyl-, (1Z)-

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

AIDS335689 [DBID]
AIDS-335689 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.6±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21427.56
ACD/KOC (pH 5.5): 43822.43
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21427.56
ACD/KOC (pH 7.4): 43822.43
Polar Surface Area: 46 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 351.1±3.0 cm3

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