ChemSpider 2D Image | (3S)-2-(3-Sulfanylpropanoyl)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid | C11H17NO3S3

(3S)-2-(3-Sulfanylpropanoyl)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid

  • Molecular FormulaC11H17NO3S3
  • Average mass307.453 Da
  • Monoisotopic mass307.037048 Da
  • ChemSpider ID24683363

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2-(3-Sulfanylpropanoyl)-6,10-dithia-2-azaspiro[4.5]decan-3-carbonsäure [German] [ACD/IUPAC Name]
(3S)-2-(3-Sulfanylpropanoyl)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid [ACD/IUPAC Name]
6,10-Dithia-2-azaspiro[4.5]decane-3-carboxylic acid, 2-(3-mercapto-1-oxopropyl)-, (3S)- [ACD/Index Name]
Acide (3S)-2-(3-sulfanylpropanoyl)-6,10-dithia-2-azaspiro[4.5]décane-3-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL352574/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 303.9±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 214.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement