ChemSpider 2D Image | {1,1-Dioxido-4-[(2-thienylsulfanyl)acetyl]-3-thiomorpholinyl}acetic acid | C12H15NO5S3

{1,1-Dioxido-4-[(2-thienylsulfanyl)acetyl]-3-thiomorpholinyl}acetic acid

  • Molecular FormulaC12H15NO5S3
  • Average mass349.446 Da
  • Monoisotopic mass349.011230 Da
  • ChemSpider ID35937379

More details:

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

{1,1-Dioxido-4-[(2-thienylsulfanyl)acetyl]-3-thiomorpholinyl}acetic acid [ACD/IUPAC Name]
{1,1-Dioxido-4-[(2-thienylsulfanyl)acetyl]-3-thiomorpholinyl}essigsäure [German] [ACD/IUPAC Name]
3-Thiomorpholineacetic acid, 4-[2-(2-thienylthio)acetyl]-, 1,1-dioxide [ACD/Index Name]
Acide {1,1-dioxydo-4-[2-(2-thiénylsulfanyl)acétyl]-3-thiomorpholinyl}acétique [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: 685.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): -2.86
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: 75.7±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

Click to predict properties on the Chemicalize site


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