ChemSpider 2D Image | 4-[(1-Isopropyl-1H-tetrazol-5-yl)methyl]-1,4-thiazepane | C10H19N5S

4-[(1-Isopropyl-1H-tetrazol-5-yl)methyl]-1,4-thiazepane

  • Molecular FormulaC10H19N5S
  • Average mass241.356 Da
  • Monoisotopic mass241.136108 Da
  • ChemSpider ID30129509

More details:

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

1,4-Thiazepine, hexahydro-4-[[1-(1-methylethyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
4-[(1-Isopropyl-1H-tetrazol-5-yl)methyl]-1,4-thiazepan [German] [ACD/IUPAC Name]
4-[(1-Isopropyl-1H-tetrazol-5-yl)methyl]-1,4-thiazepane [ACD/IUPAC Name]
4-[(1-Isopropyl-1H-tétrazol-5-yl)méthyl]-1,4-thiazépane [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.4±28.7 °C
Index of Refraction: 1.657
Molar Refractivity: 68.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 28.61
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.43
Polar Surface Area: 72 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 185.1±7.0 cm3

Click to predict properties on the Chemicalize site


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