ChemSpider 2D Image | 2-({[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-5-methyl-3-thiophenecarboxylic acid | C12H15NO5S3

2-({[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-5-methyl-3-thiophenecarboxylic acid

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID43247239

More details:

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

2-({[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-5-methyl-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
2-({[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]acetyl}amino)-5-methyl-3-thiophenecarboxylic acid [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 5-methyl-2-[[2-[(tetrahydro-1,1-dioxido-3-thienyl)thio]acetyl]amino]- [ACD/Index Name]
Acide 2-({2-[(1,1-dioxydotétrahydro-3-thiophényl)sulfanyl]acétyl}amino)-5-méthyl-3-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: 680.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.2±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.46
ACD/LogD (pH 7.4): -1.04
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: 74.6±5.0 dyne/cm
Molar Volume: 225.1±5.0 cm3

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