Structure & Deep Data of Benzo[d]thiazole-2-sulfonyl chloride (C7H4ClNO2S2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The benzo[d]thiazole-2-sulfonyl chloride molecule contains a total of 18 bond(s). There are 14 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 sulfone(s), and 1 Thiazole(s). Images of the chemical structure of benzo[d]thiazole-2-sulfonyl chloride are given below:

The 2D chemical structure image of benzo[d]thiazole-2-sulfonyl chloride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of benzo[d]thiazole-2-sulfonyl chloride 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 benzo[d]thiazole-2-sulfonyl chloride 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 benzo[d]thiazole-2-sulfonyl chloride. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Benzo[d]thiazole-2-sulfonyl chloride Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of benzo[d]thiazole-2-sulfonyl chloride

  The SMILES string of benzo[d]thiazole-2-sulfonyl chloride is ClS(=O)(=O)c2nc1ccccc1s2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the benzo[d]thiazole-2-sulfonyl chloride.

• Structure Data File (SDF/MOL File) of benzo[d]thiazole-2-sulfonyl chloride

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

• Chemical formula of benzo[d]thiazole-2-sulfonyl chloride

  The molecular formula of benzo[d]thiazole-2-sulfonyl chloride is available in chemical formula page of benzo[d]thiazole-2-sulfonyl chloride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of benzo[d]thiazole-2-sulfonyl chloride

  The molecular weight of benzo[d]thiazole-2-sulfonyl chloride is available in molecular weight page of benzo[d]thiazole-2-sulfonyl chloride, 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 benzo[d]thiazole-2-sulfonyl chloride

  The benzo[d]thiazole-2-sulfonyl chloride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of benzo[d]thiazole-2-sulfonyl chloride including the various registry numbers, if available:

  • 3B1-003899
  • Benzothiazole-2-sulfonic acid chloride
  • 2-Benzothiazolesulfonyl chloride
  • benzo[d]thiazole-2-sulfonyl chloride
  • 2824-46-6

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Benzo[d]thiazole-2-sulfonyl chloride Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of benzo[d]thiazole-2-sulfonyl chloride?
C7H4ClNO2S2
How many atoms and what are the elements included the benzo[d]thiazole-2-sulfonyl chloride molecule?
17 atom(s) - 4 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), 2 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the benzo[d]thiazole-2-sulfonyl chloride structure?
18 bond(s) - 14 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 sulfone(s), and 1 Thiazole(s)
What’s the benzo[d]thiazole-2-sulfonyl chloride’s molecular weight?
233.69516 g/mol
What’s the SMILES code of benzo[d]thiazole-2-sulfonyl chloride?
ClS(=O)(=O)c2nc1ccccc1s2
What’s the InChI string of benzo[d]thiazole-2-sulfonyl chloride?
InChI=1S/C7H4ClNO2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H
What’s the InChIKey code of benzo[d]thiazole-2-sulfonyl chloride?
HSILAFDVJZUQPI-UHFFFAOYSA-N

67 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).