ChemSpider 2D Image | 4-({[5-(Methylsulfonyl)-3-thienyl]carbonyl}amino)tetrahydro-2H-thiopyran-4-carboxylic acid | C12H15NO5S3

4-({[5-(Methylsulfonyl)-3-thienyl]carbonyl}amino)tetrahydro-2H-thiopyran-4-carboxylic acid

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID54649784

More details:

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

2H-Thiopyran-4-carboxylic acid, tetrahydro-4-[[[5-(methylsulfonyl)-3-thienyl]carbonyl]amino]- [ACD/Index Name]
4-({[5-(Methylsulfonyl)-3-thienyl]carbonyl}amino)tetrahydro-2H-thiopyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-({[5-(Methylsulfonyl)-3-thienyl]carbonyl}amino)tetrahydro-2H-thiopyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-({[5-(méthylsulfonyl)-3-thiényl]carbonyl}amino)tétrahydro-2H-thiopyrane-4-carboxylique [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: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 362.1±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: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
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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