Structure & Deep Data of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone (C19H21NOS2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4-thiomethyl-4'-thiomorpholinomethyl benzophenone molecule contains a total of 46 bond(s). There are 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). Images of the chemical structure of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone are given below:

The 2D chemical structure image of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 4-thiomethyl-4'-thiomorpholinomethyl benzophenone Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone

  The SMILES string of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is CSc1ccc(cc1)C(=O)c3ccc(CN2CCSCC2)cc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-thiomethyl-4'-thiomorpholinomethyl benzophenone.

• 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 about the 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 cheminformatics software systems and applications.

• Chemical formula of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone

  The molecular formula of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is available 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.

• Molecular weight of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone

  The molecular weight of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone is available in molecular weight page of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone

  The 4-thiomethyl-4'-thiomorpholinomethyl benzophenone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone including the various 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

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4-thiomethyl-4'-thiomorpholinomethyl benzophenone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone?
C19H21NOS2
How many atoms and what are the elements included 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 kind of bonds are included 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 4-thiomethyl-4'-thiomorpholinomethyl benzophenone’s molecular weight?
343.50614 g/mol
What’s the SMILES code of 4-thiomethyl-4'-thiomorpholinomethyl benzophenone?
CSc1ccc(cc1)C(=O)c3ccc(CN2CCSCC2)cc3
What’s the InChI string 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 code 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).