ChemSpider 2D Image | {2-Methyl-4-[({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]phenoxy}acetic acid | C21H18F3NO3S2

{2-Methyl-4-[({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]phenoxy}acetic acid

  • Molecular FormulaC21H18F3NO3S2
  • Average mass453.498 Da
  • Monoisotopic mass453.068024 Da
  • ChemSpider ID16431936

More details:

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

{2-Methyl-4-[({5-methyl-2-[4-(trifluormethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
{2-Methyl-4-[({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]phenoxy}acetic acid [ACD/IUPAC Name]
1076197-34-6 [RN]
Acetic acid, 2-[2-methyl-4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-4-thiazolyl]methyl]thio]phenoxy]- [ACD/Index Name]
Acide {2-méthyl-4-[({5-méthyl-2-[4-(trifluorométhyl)phényl]-1,3-thiazol-4-yl}méthyl)sulfanyl]phénoxy}acétique [French] [ACD/IUPAC Name]
{2-Methyl-4-{{4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl}methylthio}phenoxy}acetic acid
2-(2-Methyl-4-(((5-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-4-yl)methyl)thio)phenoxy)acetic acid
2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2 -methylphenoxy)acetic acid
2-(4-((2-(4-(TRIFLUOROMETHYL)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid
2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)aceticacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 584.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.3±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 47.14
ACD/KOC (pH 5.5): 120.52
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 5.91
Polar Surface Area: 113 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 318.1±5.0 cm3

Click to predict properties on the Chemicalize site


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