Molecular Weight of 6-Methyl Sulfasalazine (C19H16N4O5S)
Identification of 6-Methyl Sulfasalazine Chemical Compound
| Chemical Formula | C19H16N4O5S |
|---|---|
| Molecular Weight | 412.41914 g/mol |
| IUPAC Name | 3-(2-{4-[(6-methylpyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid |
| SMILES String | Cc3cccc(NS(=O)(=O)c2ccc(NN=C1C=CC(=O)C(=C1)C(O)=O)cc2)n3 |
| InChI | InChI=1S/C19H16N4O5S/c1-12-3-2-4-18(20-12)23-29(27,28)15-8-5-13(6-9-15)21-22-14-7-10-17(24)16(11-14)19(25)26/h2-11,21H,1H3,(H,20,23)(H,25,26) |
| InChIKey | VKTLSFPFAJZUIH-UHFFFAOYSA-N |
Molecular Weight Description
The 6-Methyl Sulfasalazine molecule consists of 16 Hydrogen atom(s), 19 Carbon atom(s), 4 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 45 atom(s). The molecular weight of 6-Methyl Sulfasalazine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 412.41914 · \frac{g}{mol} $$
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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 6-Methyl Sulfasalazine Molecule
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Structure Data File (SDF/MOL File) of 6-Methyl Sulfasalazine
The structure data file (SDF/MOL File) of 6-Methyl Sulfasalazine is available for download in the SDF page of 6-Methyl Sulfasalazine, which provides the information on atoms, bonds, connectivity and coordinates of 6-Methyl Sulfasalazine. The 6-Methyl Sulfasalazine 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 6-Methyl Sulfasalazine
The molecular structure image of 6-Methyl Sulfasalazine is available in chemical structure page of 6-Methyl Sulfasalazine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 6-Methyl Sulfasalazine and the chemical bonds that hold the atoms together.
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Chemical formula of 6-Methyl Sulfasalazine
The molecular formula of 6-Methyl Sulfasalazine is given in chemical formula page of 6-Methyl Sulfasalazine, 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 6-Methyl Sulfasalazine
In addition to the molecular weight information, the structural information of 6-Methyl Sulfasalazine in a textual expression is available via InChi. The full standard InChI of 6-Methyl Sulfasalazine is given below:
InChI=1S/C19H16N4O5S/c1-12-3-2-4-18(20-12)23-29(27,28)15-8-5-13(6-9-15)21-22-14-7-10-17(24)16(11-14)19(25)26/h2-11,21H,1H3,(H,20,23)(H,25,26)
It can provide a way to encode the molecular information of 6-Methyl Sulfasalazine 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 6-Methyl Sulfasalazine is:
InChIKey=VKTLSFPFAJZUIH-UHFFFAOYSA-N
It may allow easier web searches for 6-Methyl Sulfasalazine. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 6-Methyl Sulfasalazine as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 6-Methyl Sulfasalazine
There may be different names of the 6-Methyl Sulfasalazine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 6-Methyl Sulfasalazine
6-Methyl Sulfasalazine Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of 6-Methyl Sulfasalazine? |
|---|
| C19H16N4O5S |
| How many atoms and what are the elements in the 6-Methyl Sulfasalazine molecule? |
| 45 atom(s) - 16 Hydrogen atom(s), 19 Carbon atom(s), 4 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s) |
| How many chemical bonds and what types of bonds are in the 6-Methyl Sulfasalazine structure? |
| 47 bond(s) - 31 non-H bond(s), 19 multiple bond(s), 6 rotatable bond(s), 7 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ketone(s) (aliphatic), 1 hydrazone(s), 1 hydroxyl group(s), 1 sulfonamide(s) (thio-/dithio-), and 1 Pyridine(s) |
| What’s the molar mass of 6-Methyl Sulfasalazine? |
| 412.41914 g/mol |
| What’s the SMILES format of 6-Methyl Sulfasalazine? |
| Cc3cccc(NS(=O)(=O)c2ccc(NN=C1C=CC(=O)C(=C1)C(O)=O)cc2)n3 |
| What’s the InChI format of 6-Methyl Sulfasalazine? |
| InChI=1S/C19H16N4O5S/c1-12-3-2-4-18(20-12)23-29(27,28)15-8-5-13(6-9-15)21-22-14-7-10-17(24)16(11-14)19(25)26/h2-11,21H,1H3,(H,20,23)(H,25,26) |
| What’s the InChIKey string of 6-Methyl Sulfasalazine? |
| VKTLSFPFAJZUIH-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).