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

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

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID52556868

More details:

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

2-Thiophenecarboxylic acid, 4-[[2-oxo-2-[(tetrahydro-3-methyl-1,1-dioxido-3-thienyl)amino]ethyl]thio]- [ACD/Index Name]
4-({2-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl}sulfanyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-({2-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl}sulfanyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-({2-[(3-méthyl-1,1-dioxydotétrahydro-3-thiophényl)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: 1.5±0.1 g/cm3
Boiling Point: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

Click to predict properties on the Chemicalize site


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