ChemSpider 2D Image | 2-Methyl-1,3,5-oxathiazepane-4-thione | C5H9NOS2

2-Methyl-1,3,5-oxathiazepane-4-thione

  • Molecular FormulaC5H9NOS2
  • Average mass163.261 Da
  • Monoisotopic mass163.012558 Da
  • ChemSpider ID28689070

More details:

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

1,3,5-Oxathiazepine-4(5H)-thione, dihydro-2-methyl- [ACD/Index Name]
2-Methyl-1,3,5-oxathiazepan-4-thion [German] [ACD/IUPAC Name]
2-Methyl-1,3,5-oxathiazepane-4-thione [ACD/IUPAC Name]
2-Méthyl-1,3,5-oxathiazépane-4-thione [French] [ACD/IUPAC Name]
150858-93-8 [RN]
MFCD02824332

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

Density: 1.3±0.1 g/cm3
Boiling Point: 255.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 108.2±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 43.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 63.50
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 63.50
Polar Surface Area: 79 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 126.8±5.0 cm3

Click to predict properties on the Chemicalize site


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