ChemSpider 2D Image | (4-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-thiomorpholinyl)acetic acid | C12H15NO5S3

(4-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-thiomorpholinyl)acetic acid

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID54646844

More details:

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

(4-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-thiomorpholinyl)acetic acid [ACD/IUPAC Name]
(4-{[5-(Methylsulfonyl)-3-thienyl]carbonyl}-3-thiomorpholinyl)essigsäure [German] [ACD/IUPAC Name]
3-Thiomorpholineacetic acid, 4-[[5-(methylsulfonyl)-3-thienyl]carbonyl]- [ACD/Index Name]
Acide (4-{[5-(méthylsulfonyl)-3-thiényl]carbonyl}-3-thiomorpholinyl)acétique [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: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.8±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): -2.68
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: 60.2±3.0 dyne/cm
Molar Volume: 237.5±3.0 cm3

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