ChemSpider 2D Image | 8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine | C9H10ClNS

8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine

  • Molecular FormulaC9H10ClNS
  • Average mass199.700 Da
  • Monoisotopic mass199.022247 Da
  • ChemSpider ID45656847

More details:

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

1,5-Benzothiazepine, 8-chloro-2,3,4,5-tetrahydro- [ACD/Index Name]
150395-08-7 [RN]
8-Chlor-2,3,4,5-tetrahydro-1,5-benzothiazepin [German] [ACD/IUPAC Name]
8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine [ACD/IUPAC Name]
8-Chloro-2,3,4,5-tétrahydro-1,5-benzothiazépine [French] [ACD/IUPAC Name]
MFCD20681635

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

Density: 1.2±0.1 g/cm3
Boiling Point: 320.7±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.8±27.6 °C
Index of Refraction: 1.595
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.05
ACD/KOC (pH 5.5): 1314.16
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.56
ACD/KOC (pH 7.4): 1342.82
Polar Surface Area: 37 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 161.5±3.0 cm3

Click to predict properties on the Chemicalize site


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