ChemSpider 2D Image | Thiolactomycin | C11H14O2S

Thiolactomycin

  • Molecular FormulaC11H14O2S
  • Average mass210.293 Da
  • Monoisotopic mass210.071457 Da
  • ChemSpider ID16744232
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:



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(5R)-4-Hydroxy-3,5-dimethyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-2(5H)-thiophenon [German] [ACD/IUPAC Name]
(5R)-4-Hydroxy-3,5-dimethyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-2(5H)-thiophenone [ACD/IUPAC Name]
(5R)-4-Hydroxy-3,5-diméthyl-5-[(1E)-2-méthyl-1,3-butadién-1-yl]-2(5H)-thiophénone [French] [ACD/IUPAC Name]
(5R)-4-Hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one
2(5H)-Thiophenone, 4-hydroxy-3,5-dimethyl-5-[(1E)-2-methyl-1,3-butadien-1-yl]-, (5R)- [ACD/Index Name]
4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE
Thiolactomycin
(+)-thiolactomycin
(5R)-4-Hydroxy-3,5-dimethyl-5-[(1E)-2-methyl-1,3-butadienyl]-2(5H)-thiophenone
(5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-2,5-dihydrothiophen-2-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RRT [DBID]
T9567_SIGMA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 328.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 152.2±27.9 °C
Index of Refraction: 1.633
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 46.22
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 173.2±3.0 cm3

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