ChemSpider 2D Image | Methyl 3-({[(1,1-dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate | C12H15NO5S3

Methyl 3-({[(1,1-dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID37906680

More details:

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

2-Thiophenecarboxylic acid, 3-[[2-[(tetrahydro-1,1-dioxido-3-thienyl)thio]acetyl]amino]-, methyl ester [ACD/Index Name]
3-({2-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfanyl]acétyl}amino)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({[(1,1-dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-({[(1,1-dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-2-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 659.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.9±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 97.81
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.24
ACD/KOC (pH 7.4): 97.81
Polar Surface Area: 151 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 234.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement