Structure & Deep Data of Thiomorpholine-2-carboxylic acid (C5H9NO2S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The thiomorpholine-2-carboxylic acid molecule contains a total of 18 bond(s). There are 9 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), and 1 sulfide(s). Images of the chemical structure of thiomorpholine-2-carboxylic acid are given below:

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

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Additional Information for Identifying Thiomorpholine-2-carboxylic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of thiomorpholine-2-carboxylic acid

  The SMILES string of thiomorpholine-2-carboxylic acid is OC(=O)C1CNCCS1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the thiomorpholine-2-carboxylic acid.

• Structure Data File (SDF/MOL File) of thiomorpholine-2-carboxylic acid

  The structure data file (SDF/MOL File) of thiomorpholine-2-carboxylic acid is available for download in the SDF page of thiomorpholine-2-carboxylic acid, which provides the information about the atoms, bonds, connectivity and coordinates of thiomorpholine-2-carboxylic acid. The thiomorpholine-2-carboxylic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of thiomorpholine-2-carboxylic acid

  The molecular formula of thiomorpholine-2-carboxylic acid is available in chemical formula page of thiomorpholine-2-carboxylic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of thiomorpholine-2-carboxylic acid

  The molecular weight of thiomorpholine-2-carboxylic acid is available in molecular weight page of thiomorpholine-2-carboxylic 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 thiomorpholine-2-carboxylic acid

  The thiomorpholine-2-carboxylic 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 thiomorpholine-2-carboxylic acid including the various registry numbers, if available:

  • I09-0998
  • A23430
  • 1,4-thiazaperhydroine-2-carboxylic acid
  • 3882AD
  • THIOMORPHOLINE-2-CARBOXYLICACID
  • 2-Thiomorpholinecarboxylicacid(9CI)
  • 134676-16-7
  • 2-thiomorpholinecarboxylic acid
  • 134676-66-7

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Thiomorpholine-2-carboxylic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of thiomorpholine-2-carboxylic acid?
C5H9NO2S
How many atoms and what are the elements included the thiomorpholine-2-carboxylic acid molecule?
18 atom(s) - 9 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the thiomorpholine-2-carboxylic acid structure?
18 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), and 1 sulfide(s)
What’s the thiomorpholine-2-carboxylic acid’s molecular weight?
147.19546 g/mol
What’s the SMILES code of thiomorpholine-2-carboxylic acid?
OC(=O)C1CNCCS1
What’s the InChI string of thiomorpholine-2-carboxylic acid?
InChI=1S/C5H9NO2S/c7-5(8)4-3-6-1-2-9-4/h4,6H,1-3H2,(H,7,8)
What’s the InChIKey code of thiomorpholine-2-carboxylic acid?
ATOPRCUIYMBWLH-UHFFFAOYSA-N

24 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).