Formula of Chemagro 5461 (C5H12ClOPS2)
Identification of Chemagro 5461 Chemical Compound
| Chemical Formula | C5H12ClOPS2 |
|---|---|
| Molecular Weight | 218.70464 g/mol |
| IUPAC Name | {[(chloromethyl)(ethylsulfanyl)phosphoryl]sulfanyl}ethane |
| SMILES String | CCSP(=O)(CCl)SCC |
| InChI | InChI=1S/C5H12ClOPS2/c1-3-9-8(7,5-6)10-4-2/h3-5H2,1-2H3 |
| InChIKey | GOKBBGQRNIGSLG-UHFFFAOYSA-N |
Chemical Formula Description
The Chemagro 5461 molecule contains a total of 22 atom(s). There are 12 Hydrogen atom(s), 5 Carbon atom(s), 1 Oxygen atom(s), 1 Phosphorous atom(s), 2 Sulfur atom(s), and 1 Chlorine atom(s). A chemical formula of Chemagro 5461 can therefore be written as:
C5H12ClOPS2
The chemical formula of Chemagro 5461 shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Chemagro 5461 Molecule
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Structure Data File (SDF/MOL File) of Chemagro 5461
The structure data file (SDF/MOL File) of Chemagro 5461 is available for download in the SDF page of Chemagro 5461 providing the information about the atoms, bonds, connectivity and coordinates of Chemagro 5461, which is not completely available in the chemical formula representation. The Chemagro 5461 structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Chemagro 5461
The chemical structure image of Chemagro 5461 is available in chemical structure page of Chemagro 5461, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Chemagro 5461 and the chemical bonds that hold the atoms together.
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Molecular weight of Chemagro 5461
The molecular weight of Chemagro 5461 is available in molecular weight page of Chemagro 5461, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Chemagro 5461.
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InChI (IUPAC International Chemical Identifier) information of Chemagro 5461
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Chemagro 5461 is:
InChI=1S/C5H12ClOPS2/c1-3-9-8(7,5-6)10-4-2/h3-5H2,1-2H3
It can provide a standard way to encode the molecular information of Chemagro 5461 to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Chemagro 5461 is:
InChIKey=GOKBBGQRNIGSLG-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Chemagro 5461, but it needs to be linked to the full InChI to get back to the original structure of the Chemagro 5461 since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Chemagro 5461
The Chemagro 5461 compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Chemagro 5461 including the registry numbers is given below, if available:
- 1-[chloromethyl(ethylsulfanyl)phosphoryl]sulfanylethane
- CHLOROMETHYL-PHOSPHONODITHIOIC ACID S,S-DIETHYL ESTER
- S,S-Diethyl(chloromethyl)phosphonodithioate
- Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester
- Bis(diethylthio)chloromethyl phosphonate
- ENT 27,267
- 34491-12-8
- R-5461
- Chemagro 5461
- Chemagro R-5461
Chemagro 5461 Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Chemagro 5461? |
|---|
| C5H12ClOPS2 |
| How many atoms and what are they in the Chemagro 5461 structure? |
| 22 atom(s) - 12 Hydrogen atom(s), 5 Carbon atom(s), 1 Oxygen atom(s), 1 Phosphorous atom(s), 2 Sulfur atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what are they in the Chemagro 5461 structure? |
| 21 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 phosphonate(s) (thio-) |
| What’s the molecular weight of Chemagro 5461? |
| 218.70464 g/mol |
| What’s the SMILES string of Chemagro 5461? |
| CCSP(=O)(CCl)SCC |
| What’s the InChI of Chemagro 5461? |
| InChI=1S/C5H12ClOPS2/c1-3-9-8(7,5-6)10-4-2/h3-5H2,1-2H3 |
| What’s the InChIKey of Chemagro 5461? |
| GOKBBGQRNIGSLG-UHFFFAOYSA-N |
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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).