ChemSpider 2D Image | (4R)-2,2,4-Trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine | C12H17NS

(4R)-2,2,4-Trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

  • Molecular FormulaC12H17NS
  • Average mass207.335 Da
  • Monoisotopic mass207.108170 Da
  • ChemSpider ID21107581

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2,2,4-Trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepin [German] [ACD/IUPAC Name]
(4R)-2,2,4-Trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine [ACD/IUPAC Name]
(4R)-2,2,4-Triméthyl-2,3,4,5-tétrahydro-1,5-benzothiazépine [French] [ACD/IUPAC Name]
1,5-Benzothiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-, (4R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 304.6±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 138.0±19.6 °C
Index of Refraction: 1.527
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 389.86
ACD/KOC (pH 5.5): 2411.25
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.80
ACD/KOC (pH 7.4): 2695.39
Polar Surface Area: 37 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 207.9±3.0 cm3

Click to predict properties on the Chemicalize site


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