ChemSpider 2D Image | 1,4-Thiazepan-5-one 1,1-dioxide | C5H9NO3S

1,4-Thiazepan-5-one 1,1-dioxide

  • Molecular FormulaC5H9NO3S
  • Average mass163.195 Da
  • Monoisotopic mass163.030319 Da
  • ChemSpider ID25991639

More details:

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

1,1-Dioxyde de -1,4-thiazépan-5-one [French] [ACD/IUPAC Name]
1,4-Thiazepan-5-on-1,1-dioxid [German] [ACD/IUPAC Name]
1,4-Thiazepan-5-one 1,1-dioxide [ACD/IUPAC Name]
1,4-Thiazepin-5(2H)-one, tetrahydro-, 1,1-dioxide [ACD/Index Name]
16906-20-0 [RN]
1,1-dioxo-1,4-thiazepan-5-one
1λ6,4-Thiazepane-1,1,5-trione
1λ6,4-thiazepane-1,1,5-trione
MFCD18839254 [MDL number]
Tetrahydro-1,4-thiazepan-5-one-1,1-dioxide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.1±28.2 °C
Index of Refraction: 1.491
Molar Refractivity: 35.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.71
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.14
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 72 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 123.3±3.0 cm3

Click to predict properties on the Chemicalize site


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