Structure & Deep Data of Thionazin-O-analog (C8H13N2O4P)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Thionazin-O-analog molecule contains a total of 28 bond(s). There are 15 non-H bond(s), 7 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 phosphate(s)/thiophosphate(s). Images of the chemical structure of Thionazin-O-analog are given below:

The 2D chemical structure image of Thionazin-O-analog is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Thionazin-O-analog are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Thionazin-O-analog is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Thionazin-O-analog. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Thionazin-O-analog Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Thionazin-O-analog

  The SMILES string of Thionazin-O-analog is CCOP(=O)(OCC)Oc1cnccn1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Thionazin-O-analog.

• Structure Data File (SDF/MOL File) of Thionazin-O-analog

  The structure data file (SDF/MOL File) of Thionazin-O-analog is available for download in the SDF page of Thionazin-O-analog, which provides the information about the atoms, bonds, connectivity and coordinates of Thionazin-O-analog. The Thionazin-O-analog structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Thionazin-O-analog

  The molecular formula of Thionazin-O-analog is available in chemical formula page of Thionazin-O-analog, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Thionazin-O-analog

  The molecular weight of Thionazin-O-analog is available in molecular weight page of Thionazin-O-analog, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Thionazin-O-analog

  The Thionazin-O-analog compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Thionazin-O-analog including the various registry numbers, if available:

  • Phosphoric acid,diethyl pyrazinyl ester (8CI,9CI)
  • AR-1I4792
  • 9M238N5SSK
  • Phosphoric acid, diethyl pyrazinyl ester
  • Ethyl pyrazinyl phosphate
  • Thionazin-oxon
  • 7359-55-9
  • Zinophos O-analog
  • Thionazin-O-analog

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Thionazin-O-analog Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Thionazin-O-analog?
C8H13N2O4P
How many atoms and what are the elements included the Thionazin-O-analog molecule?
28 atom(s) - 13 Hydrogen atom(s), 8 Carbon atom(s), 2 Nitrogen atom(s), 4 Oxygen atom(s), and 1 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the Thionazin-O-analog structure?
28 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 phosphate(s)/thiophosphate(s)
What’s the Thionazin-O-analog’s molecular weight?
232.173582 g/mol
What’s the SMILES code of Thionazin-O-analog?
CCOP(=O)(OCC)Oc1cnccn1
What’s the InChI string of Thionazin-O-analog?
InChI=1S/C8H13N2O4P/c1-3-12-15(11,13-4-2)14-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3
What’s the InChIKey code of Thionazin-O-analog?
HMFWESVGJAXCEJ-UHFFFAOYSA-N

23 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).