Structure & Deep Data of Ethyl methyl chlorothiophosphate (C3H8ClO2PS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Ethyl methyl chlorothiophosphate molecule contains a total of 15 bond(s). There are 7 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 phosphonate(s) (thio-). Images of the chemical structure of Ethyl methyl chlorothiophosphate are given below:

The 2D chemical structure image of Ethyl methyl chlorothiophosphate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Ethyl methyl chlorothiophosphate 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 Ethyl methyl chlorothiophosphate 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 Ethyl methyl chlorothiophosphate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Ethyl methyl chlorothiophosphate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Ethyl methyl chlorothiophosphate

  The SMILES string of Ethyl methyl chlorothiophosphate is CCOP(Cl)(=S)OC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Ethyl methyl chlorothiophosphate.

• Structure Data File (SDF/MOL File) of Ethyl methyl chlorothiophosphate

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

• Chemical formula of Ethyl methyl chlorothiophosphate

  The molecular formula of Ethyl methyl chlorothiophosphate is available in chemical formula page of Ethyl methyl chlorothiophosphate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Ethyl methyl chlorothiophosphate

  The molecular weight of Ethyl methyl chlorothiophosphate is available in molecular weight page of Ethyl methyl chlorothiophosphate, 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 Ethyl methyl chlorothiophosphate

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

  • O-METHYL O-ETHYL CHLOROTHIOPHOSPHONATE
  • AR-1K9099
  • chloro-ethoxy-methoxy-sulfanylidene-
  • o-ethyl o-methyl phosphorochloridothioate
  • Phosphorochloridothioic acid, O-ethyl O-methyl ester
  • O-Methyl O-ethyl chlorothiophosphate
  • Ethyl methyl chlorothiophosphate

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Ethyl methyl chlorothiophosphate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Ethyl methyl chlorothiophosphate?
C3H8ClO2PS
How many atoms and what are the elements included the Ethyl methyl chlorothiophosphate molecule?
16 atom(s) - 8 Hydrogen atom(s), 3 Carbon atom(s), 2 Oxygen atom(s), 1 Phosphorous atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the Ethyl methyl chlorothiophosphate structure?
15 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 phosphonate(s) (thio-)
What’s the Ethyl methyl chlorothiophosphate’s molecular weight?
174.586182 g/mol
What’s the SMILES code of Ethyl methyl chlorothiophosphate?
CCOP(Cl)(=S)OC
What’s the InChI string of Ethyl methyl chlorothiophosphate?
InChI=1S/C3H8ClO2PS/c1-3-6-7(4,8)5-2/h3H2,1-2H3
What’s the InChIKey code of Ethyl methyl chlorothiophosphate?
BYHUURFQWCMINB-UHFFFAOYSA-N

18 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).