ChemSpider 2D Image | 4-({2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)-2-thiophenecarboxylic acid | C12H15NO5S3

4-({2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID52560219

More details:

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

2-Thiophenecarboxylic acid, 4-[[2-[methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl]thio]- [ACD/Index Name]
4-({2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-({2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-({2-[(1,1-dioxydotétrahydro-3-thiophényl)(méthyl)amino]-2-oxoéthyl}sulfanyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.4±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 224.4±5.0 cm3

Click to predict properties on the Chemicalize site


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