ChemSpider 2D Image | tert-Butyl 1,4-thiazepane-4-carboxylate 1-oxide | C10H19NO3S

tert-Butyl 1,4-thiazepane-4-carboxylate 1-oxide

  • Molecular FormulaC10H19NO3S
  • Average mass233.328 Da
  • Monoisotopic mass233.108566 Da
  • ChemSpider ID30648820

More details:






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

1,4-Thiazepine-4(5H)-carboxylic acid, tetrahydro-, 1,1-dimethylethyl ester, 1-oxide [ACD/Index Name]
1880585-34-1 [RN]
1-Oxyde de -1,4-thiazépane-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1,4-thiazepane-4-carboxylate 1-oxide [ACD/IUPAC Name]
2-Methyl-2-propanyl-1,4-thiazepan-4-carboxylat-1-oxid [German] [ACD/IUPAC Name]
tert-Butyl 1,4-thiazepane-4-carboxylate 1-oxide
MFCD19689462
tert-butyl1,4-thiazepane-4-carboxylate1-oxide
TERT-BUTYL1,4-THIAZEPANE-4-CARBOXYLATE1-OXIDE(WXC08012)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.3±24.8 °C
Index of Refraction: 1.533
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.63
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.63
Polar Surface Area: 66 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 196.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement