Structure & Deep Data of Thionalide (C12H11NOS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Thionalide molecule contains a total of 27 bond(s). There are 16 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 thiol(s). Images of the chemical structure of Thionalide are given below:

The 2D chemical structure image of Thionalide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Thionalide 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 Thionalide 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 Thionalide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Thionalide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Thionalide

  The SMILES string of Thionalide is SCC(=O)Nc2ccc1ccccc1c2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Thionalide.

• Structure Data File (SDF/MOL File) of Thionalide

  The structure data file (SDF/MOL File) of Thionalide is available for download in the SDF page of Thionalide, which provides the information about the atoms, bonds, connectivity and coordinates of Thionalide. The Thionalide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Thionalide

  The molecular formula of Thionalide is available in chemical formula page of Thionalide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Thionalide

  The molecular weight of Thionalide is available in molecular weight page of Thionalide, 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 Thionalide

  The Thionalide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Thionalide including the various registry numbers, if available:

  • AR-1L6762
  • C-46417
  • Acetamide, 2-mercapto-N-2-naphthalenyl- (9CI)
  • Acetamide, 2-mercapto-N-2-naphthyl- (8CI)
  • MLS000736570-02
  • M0059
  • N-(2-Naphthyl)-2-sulfanylacetamide #
  • N-(2-naphthyl)-2-sulfanyl-acetamide
  • 5963AF
  • 5M3H598CDM

  • Thioglycolic-beta-aminonaphthalide
  • thioglycollic-b-aminonaphthalide
  • N-naphthalen-2-yl-2-sulfanylacetamide
  • Acetamide, 2-mercapto-N-2-naphthyl-
  • N-(2-Naphthyl)-2-sulfanylacetamide
  • Thioglycolic-.beta.-aminonaphthalide
  • 2-MERCAPTO-N-(2-NAPHTHYL)ACETAMIDE
  • Acetamide, 2-mercapto-N-2-naphthalenyl-
  • 2-Mercapto-N-2-naphthylacetamide
  • N-2-Naphthyl-mercaptoacetamide

  • 93-42-5
  • Thionalid
  • Thiolanilide
  • Thionalide

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Thionalide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Thionalide?
C12H11NOS
How many atoms and what are the elements included the Thionalide molecule?
26 atom(s) - 11 Hydrogen atom(s), 12 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Thionalide structure?
27 bond(s) - 16 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 thiol(s)
What’s the Thionalide’s molecular weight?
217.28684 g/mol
What’s the SMILES code of Thionalide?
SCC(=O)Nc2ccc1ccccc1c2
What’s the InChI string of Thionalide?
InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
What’s the InChIKey code of Thionalide?
SGMHGVVTMOGJMX-UHFFFAOYSA-N

843 The contents of this page can freely be shared if cited as follows:
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).