Molecular Weight of Chemagro 5461 (C5H12ClOPS2)
Identification of Chemagro 5461 Chemical Compound
Chemical Formula | C5H12ClOPS2 |
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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 |
Molecular Weight Description
The Chemagro 5461 molecule consists of 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 total of 22 atom(s). The molecular weight of Chemagro 5461 is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 218.70464 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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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, which provides the information on atoms, bonds, connectivity and coordinates of Chemagro 5461. The Chemagro 5461 structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Chemagro 5461
The molecular structure image of Chemagro 5461 is available in chemical structure page of Chemagro 5461, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Chemagro 5461 and the chemical bonds that hold the atoms together.
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Chemical formula of Chemagro 5461
The molecular formula of Chemagro 5461 is given in chemical formula page of Chemagro 5461, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Chemagro 5461
In addition to the molecular weight information, the structural information of Chemagro 5461 in a textual expression is available via InChi. The full standard InChI of Chemagro 5461 is given below:
InChI=1S/C5H12ClOPS2/c1-3-9-8(7,5-6)10-4-2/h3-5H2,1-2H3
It can provide a 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
It may allow easier web searches for Chemagro 5461. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Chemagro 5461 as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Chemagro 5461
There may be different names of the Chemagro 5461 compound depending on the various situations of industrial applications, which are given below including the registry numbers 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 formula of Chemagro 5461? |
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C5H12ClOPS2 |
How many atoms and what are the elements in the Chemagro 5461 molecule? |
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 types of bonds are 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 molar mass of Chemagro 5461? |
218.70464 g/mol |
What’s the SMILES format of Chemagro 5461? |
CCSP(=O)(CCl)SCC |
What’s the InChI format of Chemagro 5461? |
InChI=1S/C5H12ClOPS2/c1-3-9-8(7,5-6)10-4-2/h3-5H2,1-2H3 |
What’s the InChIKey string 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).