Found 2 results

Search term: TUQMDDBBXLIDEG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-({2-[(2S,5R)-2-Methyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}sulfonyl)-1,3-benzothiazole | C18H23NO4S2

2-({2-[(2S,5R)-2-Methyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}sulfonyl)-1,3-benzothiazole

  • Molecular FormulaC18H23NO4S2
  • Average mass381.509 Da
  • Monoisotopic mass381.106842 Da
  • ChemSpider ID30650617

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-({2-[(2S,5R)-2-Methyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}sulfonyl)-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-({2-[(2S,5R)-2-Methyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}sulfonyl)-1,3-benzothiazole [ACD/IUPAC Name]
2-({2-[(2S,5R)-2-Méthyl-1,6-dioxaspiro[4.5]déc-7-yl]éthyl}sulfonyl)-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[[2-[(2S,5R)-2-methyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.7±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 281.4±29.0 °C
Index of Refraction: 1.621
Molar Refractivity: 99.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.12
ACD/KOC (pH 5.5): 1572.33
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.12
ACD/KOC (pH 7.4): 1572.33
Polar Surface Area: 102 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 282.5±5.0 cm3

Click to predict properties on the Chemicalize site


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