ChemSpider 2D Image | 5-Methyl-2-thiomorpholinecarboxylic acid 1-oxide | C6H11NO3S

5-Methyl-2-thiomorpholinecarboxylic acid 1-oxide

  • Molecular FormulaC6H11NO3S
  • Average mass177.221 Da
  • Monoisotopic mass177.045959 Da
  • ChemSpider ID28566871

More details:






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

2-Thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide [ACD/Index Name]
5-Methyl-2-thiomorpholincarbonsäure-1-oxid [German] [ACD/IUPAC Name]
5-Methyl-2-thiomorpholinecarboxylic acid 1-oxide [ACD/IUPAC Name]
Acide 1-oxyde de 5-méthyl-2-thiomorpholinecarboxylique [French] [ACD/IUPAC Name]
(5S)-5-METHYLTHIOMORPHOLINE-2-CARBOXYLIC ACID 1-OXIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 462.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.5±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 41.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 123.7±5.0 cm3

Click to predict properties on the Chemicalize site






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