Found 7 results

Search term: XCEINABKQJDSRC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,4S)-2-(2-Methyl-2-propanyl)-1,3-thiazolidine-4-carboxylic acid | C8H15NO2S

(2S,4S)-2-(2-Methyl-2-propanyl)-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC8H15NO2S
  • Average mass189.275 Da
  • Monoisotopic mass189.082352 Da
  • ChemSpider ID62399413

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-2-(2-Methyl-2-propanyl)-1,3-thiazolidin-3-ium-4-carboxylat [German] [ACD/IUPAC Name]
(2S,4S)-2-(2-Methyl-2-propanyl)-1,3-thiazolidin-3-ium-4-carboxylate [ACD/IUPAC Name]
(2S,4S)-2-(2-Méthyl-2-propanyl)-1,3-thiazolidin-3-ium-4-carboxylate [French] [ACD/IUPAC Name]
(2S,4S)-2-(2-Methyl-2-propanyl)-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-2-(2-Methyl-2-propanyl)-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, (2S,4S)- [ACD/Index Name]
Acide (2S,4S)-2-(2-méthyl-2-propanyl)-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
Thiazolidinium, 4-carboxy-2-(1,1-dimethylethyl)-, inner salt, (2S,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.8±6.0 kJ/mol
Flash Point: 158.0±26.5 °C
Index of Refraction: 1.522
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 162.7±3.0 cm3

Click to predict properties on the Chemicalize site


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