Molecular Weight of S-Acetylthioglycolic acid pentafluorophenyl ester (C10H5F5O3S)
Identification of S-Acetylthioglycolic acid pentafluorophenyl ester Chemical Compound
| Chemical Formula | C10H5F5O3S |
|---|---|
| Molecular Weight | 300.201916 g/mol |
| IUPAC Name | 2,3,4,5,6-pentafluorophenyl 2-(acetylsulfanyl)acetate |
| SMILES String | CC(=O)SCC(=O)Oc1c(F)c(F)c(F)c(F)c1F |
| InChI | InChI=1S/C10H5F5O3S/c1-3(16)19-2-4(17)18-10-8(14)6(12)5(11)7(13)9(10)15/h2H2,1H3 |
| InChIKey | VAVNEUKAWUEHAG-UHFFFAOYSA-N |
Molecular Weight Description
The S-Acetylthioglycolic acid pentafluorophenyl ester molecule consists of 5 Hydrogen atom(s), 10 Carbon atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 5 Fluorine atom(s) - a total of 24 atom(s). The molecular weight of S-Acetylthioglycolic acid pentafluorophenyl ester is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 300.201916 · \frac{g}{mol} $$
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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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying S-Acetylthioglycolic acid pentafluorophenyl ester Molecule
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Structure Data File (SDF/MOL File) of S-Acetylthioglycolic acid pentafluorophenyl ester
The structure data file (SDF/MOL File) of S-Acetylthioglycolic acid pentafluorophenyl ester is available for download in the SDF page of S-Acetylthioglycolic acid pentafluorophenyl ester, which provides the information on atoms, bonds, connectivity and coordinates of S-Acetylthioglycolic acid pentafluorophenyl ester. The S-Acetylthioglycolic acid pentafluorophenyl ester 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 S-Acetylthioglycolic acid pentafluorophenyl ester
The molecular structure image of S-Acetylthioglycolic acid pentafluorophenyl ester is available in chemical structure page of S-Acetylthioglycolic acid pentafluorophenyl ester, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in S-Acetylthioglycolic acid pentafluorophenyl ester and the chemical bonds that hold the atoms together.
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Chemical formula of S-Acetylthioglycolic acid pentafluorophenyl ester
The molecular formula of S-Acetylthioglycolic acid pentafluorophenyl ester is given in chemical formula page of S-Acetylthioglycolic acid pentafluorophenyl ester, 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 S-Acetylthioglycolic acid pentafluorophenyl ester
In addition to the molecular weight information, the structural information of S-Acetylthioglycolic acid pentafluorophenyl ester in a textual expression is available via InChi. The full standard InChI of S-Acetylthioglycolic acid pentafluorophenyl ester is given below:
InChI=1S/C10H5F5O3S/c1-3(16)19-2-4(17)18-10-8(14)6(12)5(11)7(13)9(10)15/h2H2,1H3
It can provide a way to encode the molecular information of S-Acetylthioglycolic acid pentafluorophenyl ester 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 S-Acetylthioglycolic acid pentafluorophenyl ester is:
InChIKey=VAVNEUKAWUEHAG-UHFFFAOYSA-N
It may allow easier web searches for S-Acetylthioglycolic acid pentafluorophenyl ester. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the S-Acetylthioglycolic acid pentafluorophenyl ester as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of S-Acetylthioglycolic acid pentafluorophenyl ester
There may be different names of the S-Acetylthioglycolic acid pentafluorophenyl ester compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- K-4035
- (Acetylthio)acetic acid pentafluorophenyl ester
- pentafluorophenyl 2-(acetylsulfanyl)acetate
- pentafluorophenyl S-acetylmercaptoacetate
- Pentafluorophenyl 2-(Acetylthio)acetate
- Pentafluorophenyl S-acetylthioglycolate
- Perfluorophenyl 2-(acetylthio)acetate
- MFCD00276401
- 7683AH
- Pentafluorophenyl (acetylthio)acetate
- (2,3,4,5,6-pentafluorophenyl) 2-acetylsulfanylacetate
- C10H5F5O3S
- Acetic acid, (acetylthio)-, pentafluorophenyl ester
- 129815-48-1
- S-Acetylthioglycolic acid pentafluorophenyl ester
- S-Acetylthioglycolic acid pentafluorophenyl ester, >=96.0% (HPLC)
- J-005718
- 2,3,4,5,6-pentafluorophenyl 2-acetylthioacetate
S-Acetylthioglycolic acid pentafluorophenyl ester Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of S-Acetylthioglycolic acid pentafluorophenyl ester? |
|---|
| C10H5F5O3S |
| How many atoms and what are the elements in the S-Acetylthioglycolic acid pentafluorophenyl ester molecule? |
| 24 atom(s) - 5 Hydrogen atom(s), 10 Carbon atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 5 Fluorine atom(s) |
| How many chemical bonds and what types of bonds are in the S-Acetylthioglycolic acid pentafluorophenyl ester structure? |
| 24 bond(s) - 19 non-H bond(s), 8 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 thioester(s) (aliphatic) |
| What’s the molar mass of S-Acetylthioglycolic acid pentafluorophenyl ester? |
| 300.201916 g/mol |
| What’s the SMILES format of S-Acetylthioglycolic acid pentafluorophenyl ester? |
| CC(=O)SCC(=O)Oc1c(F)c(F)c(F)c(F)c1F |
| What’s the InChI format of S-Acetylthioglycolic acid pentafluorophenyl ester? |
| InChI=1S/C10H5F5O3S/c1-3(16)19-2-4(17)18-10-8(14)6(12)5(11)7(13)9(10)15/h2H2,1H3 |
| What’s the InChIKey string of S-Acetylthioglycolic acid pentafluorophenyl ester? |
| VAVNEUKAWUEHAG-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).