ChemSpider 2D Image | 6-Methyl-4-{[1-(methylsulfanyl)cyclopropyl]methyl}-1,4-thiazepane 1-oxide | C11H21NOS2

6-Methyl-4-{[1-(methylsulfanyl)cyclopropyl]methyl}-1,4-thiazepane 1-oxide

  • Molecular FormulaC11H21NOS2
  • Average mass247.421 Da
  • Monoisotopic mass247.106461 Da
  • ChemSpider ID64761419

More details:






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

1,4-Thiazepine, hexahydro-6-methyl-4-[[1-(methylthio)cyclopropyl]methyl]-, 1-oxide [ACD/Index Name]
1-Oxyde de 6-méthyl-4-{[1-(méthylsulfanyl)cyclopropyl]méthyl}-1,4-thiazépane [French] [ACD/IUPAC Name]
6-Methyl-4-{[1-(methylsulfanyl)cyclopropyl]methyl}-1,4-thiazepan-1-oxid [German] [ACD/IUPAC Name]
6-Methyl-4-{[1-(methylsulfanyl)cyclopropyl]methyl}-1,4-thiazepane 1-oxide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 410.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.3±26.8 °C
Index of Refraction: 1.595
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 49.85
Polar Surface Area: 65 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 205.0±5.0 cm3

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