Found 5 results

Search term: MF = 'C_{13}H_{15}N_{2}O_{4}PS'
ChemSpider 2D Image | {[(2-Amino-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-d][1,3]thiazol-9-yl)oxy]methyl}phosphonic acid | C13H15N2O4PS

{[(2-Amino-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-d][1,3]thiazol-9-yl)oxy]methyl}phosphonic acid

  • Molecular FormulaC13H15N2O4PS
  • Average mass326.308 Da
  • Monoisotopic mass326.049011 Da
  • ChemSpider ID24640486

More details:

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

{[(2-Amino-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-d][1,3]thiazol-9-yl)oxy]methyl}phosphonic acid [ACD/IUPAC Name]
{[(2-Amino-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-d][1,3]thiazol-9-yl)oxy]methyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {[(2-amino-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-d][1,3]thiazol-9-yl)oxy]méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[(2-amino-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-d]thiazol-9-yl)oxy]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.7±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 79.2±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

Click to predict properties on the Chemicalize site


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