ChemSpider 2D Image | (1S,3R)-3-Thiomorpholinecarboxylic acid 1-oxide | C5H9NO3S

(1S,3R)-3-Thiomorpholinecarboxylic acid 1-oxide

  • Molecular FormulaC5H9NO3S
  • Average mass163.195 Da
  • Monoisotopic mass163.030319 Da
  • ChemSpider ID57536342

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-Thiomorpholincarbonsäure-1-oxid [German] [ACD/IUPAC Name]
(1S,3R)-3-Thiomorpholinecarboxylic acid 1-oxide [ACD/IUPAC Name]
3-Thiomorpholinecarboxylic acid, 1-oxide, (1S,3R)- [ACD/Index Name]
Acide (1S,3R) 1-oxyde de -3-thiomorpholinecarboxylique [French] [ACD/IUPAC Name]
(1S,3R)-1-Oxo-1λ4,4-thiazinane-3-carboxylic acid
23652-74-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 491.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 251.2±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 37.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -4.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 106.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement