ChemSpider 2D Image | trans-(+/-)-kadethrin | C23H24O4S

trans-(±)-kadethrin

  • Molecular FormulaC23H24O4S
  • Average mass396.499 Da
  • Monoisotopic mass396.139526 Da
  • ChemSpider ID52083997

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-2,2-Diméthyl-3-[(E)-(2-oxodihydro-3(2H)-thiophénylidène)méthyl]cyclopropanecarboxylate de (5-benzyl-3-furyl)méthyle [French] [ACD/IUPAC Name]
(5-Benzyl-3-furyl)methyl (1S,3S)-2,2-dimethyl-3-[(E)-(2-oxodihydro-3(2H)-thiophenylidene)methyl]cyclopropanecarboxylate [ACD/IUPAC Name]
(5-Benzyl-3-furyl)methyl-(1S,3S)-2,2-dimethyl-3-[(E)-(2-oxodihydro-3(2H)-thiophenyliden)methyl]cyclopropancarboxylat [German] [ACD/IUPAC Name]
71327-80-5 [RN]
Cyclopropanecarboxylic acid, 3-[(E)-(dihydro-2-oxo-3(2H)-thienylidene)methyl]-2,2-dimethyl-, [5-(phenylmethyl)-3-furanyl]methyl ester, (1S,3S)- [ACD/Index Name]
trans-(±)-kadethrin
KADETHRIN, TRANS-(±)-

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

E6MR13U8VY [DBID]
UNII:E6MR13U8VY [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.0±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8283.54
ACD/KOC (pH 5.5): 22194.71
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8283.54
ACD/KOC (pH 7.4): 22194.71
Polar Surface Area: 82 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 310.1±3.0 cm3

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