ChemSpider 2D Image | 3,3-Dimethyl-7-phenyl-3H-[1,2]oxathiolo[3,4-f][1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine 1,1-dioxide | C14H12N4O3S2

3,3-Dimethyl-7-phenyl-3H-[1,2]oxathiolo[3,4-f][1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine 1,1-dioxide

  • Molecular FormulaC14H12N4O3S2
  • Average mass348.400 Da
  • Monoisotopic mass348.035095 Da
  • ChemSpider ID21130447

More details:

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

1,1-Dioxyde de 3,3-diméthyl-7-phényl-3H-[1,2]oxathiolo[3,4-f][1,2,4]triazolo[3,4-b][1,3,4]thiadiazépine [French] [ACD/IUPAC Name]
3,3-Dimethyl-7-phenyl-3H-[1,2]oxathiolo[3,4-f][1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-1,1-dioxid [German] [ACD/IUPAC Name]
3,3-Dimethyl-7-phenyl-3H-[1,2]oxathiolo[3,4-f][1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine 1,1-dioxide [ACD/IUPAC Name]
3H-[1,2]Oxathiolo[3,4-f][1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine, 3,3-dimethyl-7-phenyl-, 1,1-dioxide [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.773
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.85
ACD/KOC (pH 5.5): 442.09
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.85
ACD/KOC (pH 7.4): 442.09
Polar Surface Area: 120 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 213.8±7.0 cm3

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