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Search term: 21257241 (Found by CSID)
ChemSpider 2D Image | Thiotetromycin | C13H18O2S

Thiotetromycin

  • Molecular FormulaC13H18O2S
  • Average mass238.346 Da
  • Monoisotopic mass238.102753 Da
  • ChemSpider ID21257241

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3,5-Diethyl-4-hydroxy-5-[(1E)-2-methyl-1,3-butadien-1-yl]-2(5H)-thiophenon [German] [ACD/IUPAC Name]
(5R)-3,5-Diethyl-4-hydroxy-5-[(1E)-2-methyl-1,3-butadien-1-yl]-2(5H)-thiophenone [ACD/IUPAC Name]
(5R)-3,5-Diéthyl-4-hydroxy-5-[(1E)-2-méthyl-1,3-butadién-1-yl]-2(5H)-thiophénone [French] [ACD/IUPAC Name]
2(5H)-Thiophenone, 3,5-diethyl-4-hydroxy-5-[(1E)-2-methyl-1,3-butadien-1-yl]-, (5R)- [ACD/Index Name]
Thiotetromycin
85263-97-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 357.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 169.9±27.9 °C
Index of Refraction: 1.598
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 14.27
ACD/KOC (pH 5.5): 118.14
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 63 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 208.3±3.0 cm3

Click to predict properties on the Chemicalize site


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