ChemSpider 2D Image | 2-Methyl-2-propanyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate | C13H22N4O3S

2-Methyl-2-propanyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate

  • Molecular FormulaC13H22N4O3S
  • Average mass314.404 Da
  • Monoisotopic mass314.141266 Da
  • ChemSpider ID34208824

More details:

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

1-Acétyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]déc-2-ène-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-en-8-carboxylat [German] [ACD/IUPAC Name]
4-Thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid, 1-acetyl-3-amino-, 1,1-dimethylethyl ester [ACD/Index Name]
1803562-13-1 [RN]
MFCD28139379
tert-butyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 447.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.5±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 81.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.10
ACD/KOC (pH 5.5): 78.14
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 78.14
Polar Surface Area: 114 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 230.8±7.0 cm3

Click to predict properties on the Chemicalize site


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