ChemSpider 2D Image | 2-Methyl-2-propanyl 6-oxo-1,4-thiazepane-4-carboxylate 1,1-dioxide | C10H17NO5S

2-Methyl-2-propanyl 6-oxo-1,4-thiazepane-4-carboxylate 1,1-dioxide

  • Molecular FormulaC10H17NO5S
  • Average mass263.311 Da
  • Monoisotopic mass263.082733 Da
  • ChemSpider ID14503158

More details:

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

1,1-Dioxyde de 6-oxo-1,4-thiazépane-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,4-Thiazepine-4(5H)-carboxylic acid, tetrahydro-6-oxo-, 1,1-dimethylethyl ester, 1,1-dioxide [ACD/Index Name]
140217-84-1 [RN]
2-Methyl-2-propanyl 6-oxo-1,4-thiazepane-4-carboxylate 1,1-dioxide [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-oxo-1,4-thiazepan-4-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
1,1,6-Trioxo-1l6-[1,4]thiazepane-4-carboxylic acid tert-butyl ester
Dicyclopropylamine
MFCD19689411
tert-butyl 6-oxo-1,4-thiazepane-4-carboxylate 1,1-dioxide

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

CCRIS 4693 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 456.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.1±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 61.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.36
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.36
Polar Surface Area: 89 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

Click to predict properties on the Chemicalize site


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