Molecular Weight of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone (C19H21NOS2)
Identification of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone Chemical Compound
Chemical Formula | C19H21NOS2 |
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Molecular Weight | 343.50614 g/mol |
IUPAC Name | 4-[(4-{[4-(methylsulfanyl)phenyl]carbonyl}phenyl)methyl]thiomorpholine |
SMILES String | CSc1ccc(cc1)C(=O)c3ccc(CN2CCSCC2)cc3 |
InChI | InChI=1S/C19H21NOS2/c1-22-18-8-6-17(7-9-18)19(21)16-4-2-15(3-5-16)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3 |
InChIKey | NHXXFKZVRFDKHM-UHFFFAOYSA-N |
Molecular Weight Description
The 4-thiomethyl-4'-thiomorpholinomethyl benzophenone molecule consists of 21 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 2 Sulfur atom(s) - a total of 44 atom(s). The molecular weight of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 343.50614 · \frac{g}{mol} $$
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 4-thiomethyl-4'-thiomorpholinomethyl benzophenone Molecule
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Structure Data File (SDF/MOL File) of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone
The structure data file (SDF/MOL File) of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is available for download in the SDF page of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone, which provides the information on atoms, bonds, connectivity and coordinates of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone. The 4-thiomethyl-4'-thiomorpholinomethyl benzophenone 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 4-thiomethyl-4'-thiomorpholinomethyl benzophenone
The molecular structure image of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is available in chemical structure page of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 4-thiomethyl-4'-thiomorpholinomethyl benzophenone and the chemical bonds that hold the atoms together.
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Chemical formula of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone
The molecular formula of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is given in chemical formula page of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone, 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 4-thiomethyl-4'-thiomorpholinomethyl benzophenone
In addition to the molecular weight information, the structural information of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone in a textual expression is available via InChi. The full standard InChI of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is given below:
InChI=1S/C19H21NOS2/c1-22-18-8-6-17(7-9-18)19(21)16-4-2-15(3-5-16)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3
It can provide a way to encode the molecular information of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone 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 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is:
InChIKey=NHXXFKZVRFDKHM-UHFFFAOYSA-N
It may allow easier web searches for 4-thiomethyl-4'-thiomorpholinomethyl benzophenone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 4-thiomethyl-4'-thiomorpholinomethyl benzophenone as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone
There may be different names of the 4-thiomethyl-4'-thiomorpholinomethyl benzophenone compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- [4-(Methylsulfanyl)phenyl]{4-[(thiomorpholin-4-yl)methyl]phenyl}methanone
- MFCD03841736
- 4-THIOMETHYL-4'-THIOMORPHOLINOMETHYLBENZOPHENONE
- 4-thiomethyl-4'-thiomorpholinomethyl benzophenone
- 898782-57-5
4-thiomethyl-4'-thiomorpholinomethyl benzophenone Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone? |
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C19H21NOS2 |
How many atoms and what are the elements in the 4-thiomethyl-4'-thiomorpholinomethyl benzophenone molecule? |
44 atom(s) - 21 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 2 Sulfur atom(s) |
How many chemical bonds and what types of bonds are in the 4-thiomethyl-4'-thiomorpholinomethyl benzophenone structure? |
46 bond(s) - 25 non-H bond(s), 13 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 2 sulfide(s) |
What’s the molar mass of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone? |
343.50614 g/mol |
What’s the SMILES format of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone? |
CSc1ccc(cc1)C(=O)c3ccc(CN2CCSCC2)cc3 |
What’s the InChI format of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone? |
InChI=1S/C19H21NOS2/c1-22-18-8-6-17(7-9-18)19(21)16-4-2-15(3-5-16)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3 |
What’s the InChIKey string of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone? |
NHXXFKZVRFDKHM-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).