ChemSpider 2D Image | (4Z)-3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-(~2~H_3_)methyl-N-nitro-1,3,5-oxadiazinan-4-imine | C8H7D3ClN5O3S

(4Z)-3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-(2H3)methyl-N-nitro-1,3,5-oxadiazinan-4-imine

  • Molecular FormulaC8H7D3ClN5O3S
  • Average mass294.733 Da
  • Monoisotopic mass294.038116 Da
  • ChemSpider ID57546276

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(4Z)-3-[(2-Chlor-1,3-thiazol-5-yl)methyl]-5-(2H3)methyl-N-nitro-1,3,5-oxadiazinan-4-imin [German] [ACD/IUPAC Name]
(4Z)-3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-(2H3)methyl-N-nitro-1,3,5-oxadiazinan-4-imine [ACD/IUPAC Name]
(4Z)-3-[(2-Chloro-1,3-thiazol-5-yl)méthyl]-5-(2H3)méthyl-N-nitro-1,3,5-oxadiazinan-4-imine [French] [ACD/IUPAC Name]
4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-(methyl-d3)-N-nitro-, (4Z)- [ACD/Index Name]
1294048-82-0 [RN]
1700693-96-4 [RN]
N-{3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-(2H3)methyl-1,3,5-oxadiazinan-4-ylidene}nitramide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 485.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.6±31.5 °C
Index of Refraction: 1.725
Molar Refractivity: 67.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.82
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.82
Polar Surface Area: 115 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 170.3±7.0 cm3

Click to predict properties on the Chemicalize site


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