Found 17 results

Search term: MF = 'C_{13}H_{11}NO_{2}S_{3}'
ChemSpider 2D Image | 4-[(4-Methylphenyl)sulfonyl]-5-(2-propyn-1-ylsulfanyl)-1,3-thiazole | C13H11NO2S3

4-[(4-Methylphenyl)sulfonyl]-5-(2-propyn-1-ylsulfanyl)-1,3-thiazole

  • Molecular FormulaC13H11NO2S3
  • Average mass309.427 Da
  • Monoisotopic mass308.995178 Da
  • ChemSpider ID78292208

More details:

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

1082650-73-4 [RN]
4-[(4-Methylphenyl)sulfonyl]-5-(2-propin-1-ylsulfanyl)-1,3-thiazol [German] [ACD/IUPAC Name]
4-[(4-Methylphenyl)sulfonyl]-5-(2-propyn-1-ylsulfanyl)-1,3-thiazole [ACD/IUPAC Name]
4-[(4-Méthylphényl)sulfonyl]-5-(2-propyn-1-ylsulfanyl)-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 4-[(4-methylphenyl)sulfonyl]-5-(2-propyn-1-ylthio)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 246.7±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.21
ACD/KOC (pH 5.5): 638.22
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.21
ACD/KOC (pH 7.4): 638.22
Polar Surface Area: 109 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 216.5±5.0 cm3

Click to predict properties on the Chemicalize site


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