Structure & Deep Data of Thionicotinic acid (C6H5NOS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Thionicotinic acid molecule contains a total of 14 bond(s). There are 9 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 thioacid(s) (aromatic), and 1 Pyridine(s). Images of the chemical structure of Thionicotinic acid are given below:

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

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Additional Information for Identifying Thionicotinic acid Molecule

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

  The SMILES string of Thionicotinic acid is SC(=O)c1cccnc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Thionicotinic acid.

• Structure Data File (SDF/MOL File) of Thionicotinic acid

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

• Chemical formula of Thionicotinic acid

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

• Molecular weight of Thionicotinic acid

  The molecular weight of Thionicotinic acid is available in molecular weight page of Thionicotinic acid, 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 Thionicotinic acid

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

  • AR-1F5150
  • A828607
  • MFCD00191582
  • ANW-31188
  • THIONICOTINIC ACID 96+%
  • 3-Pyridinecarbothioic S-acid #
  • Pyridine-3-carbothioic O-acid
  • 3-Pyridinecarbothioic S-acid
  • 3-Pyridylthiocarboxylic Acid
  • THIONICOTINICACID

  • 3-pyridinecarbothioic acid
  • 51087-03-7
  • Thionicotinic acid

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Thionicotinic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Thionicotinic acid?
C6H5NOS
How many atoms and what are the elements included the Thionicotinic acid molecule?
14 atom(s) - 5 Hydrogen atom(s), 6 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 Thionicotinic acid structure?
14 bond(s) - 9 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 thioacid(s) (aromatic), and 1 Pyridine(s)
What’s the Thionicotinic acid’s molecular weight?
139.175 g/mol
What’s the SMILES code of Thionicotinic acid?
SC(=O)c1cccnc1
What’s the InChI string of Thionicotinic acid?
InChI=1S/C6H5NOS/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
What’s the InChIKey code of Thionicotinic acid?
OWDHSOUPMJJTFN-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).