ChemSpider 2D Image | N-[3,4-Difluoro-5-(3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl]-5-methoxy-2-pyridinecarbothioamide | C18H19F2N5O3S2

N-[3,4-Difluoro-5-(3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl]-5-methoxy-2-pyridinecarbothioamide

  • Molecular FormulaC18H19F2N5O3S2
  • Average mass455.502 Da
  • Monoisotopic mass455.089722 Da
  • ChemSpider ID61758305

More details:

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

2-Pyridinecarbothioamide, N-[3,4-difluoro-5-(tetrahydro-3-imino-2,5-dimethyl-1,1-dioxido-2H-1,2,4-thiadiazin-5-yl)phenyl]-5-methoxy- [ACD/Index Name]
N-[3,4-Difluor-5-(3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl]-5-methoxy-2-pyridincarbothioamid [German] [ACD/IUPAC Name]
N-[3,4-Difluoro-5-(3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl)phenyl]-5-methoxy-2-pyridinecarbothioamide [ACD/IUPAC Name]
N-[3,4-Difluoro-5-(3-imino-2,5-diméthyl-1,1-dioxydo-1,2,4-thiadiazinan-5-yl)phényl]-5-méthoxy-2-pyridinecarbothioamide [French] [ACD/IUPAC 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: 570.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.0±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 111.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.73
ACD/KOC (pH 5.5): 105.90
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.60
ACD/KOC (pH 7.4): 102.86
Polar Surface Area: 148 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 302.4±7.0 cm3

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