Structure & Deep Data of 3-Hydroxythiophenol (C6H6OS)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-Hydroxythiophenol molecule contains a total of 14 bond(s). There are 8 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aromatic hydroxyl(s). Images of the chemical structure of 3-Hydroxythiophenol are given below:

The 2D chemical structure image of 3-Hydroxythiophenol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-Hydroxythiophenol 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 3-Hydroxythiophenol 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 3-Hydroxythiophenol. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3-Hydroxythiophenol Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-Hydroxythiophenol

  The SMILES string of 3-Hydroxythiophenol is Oc1cccc(S)c1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-Hydroxythiophenol.

• Structure Data File (SDF/MOL File) of 3-Hydroxythiophenol

  The structure data file (SDF/MOL File) of 3-Hydroxythiophenol is available for download in the SDF page of 3-Hydroxythiophenol, which provides the information about the atoms, bonds, connectivity and coordinates of 3-Hydroxythiophenol. The 3-Hydroxythiophenol structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-Hydroxythiophenol

  The molecular formula of 3-Hydroxythiophenol is available in chemical formula page of 3-Hydroxythiophenol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-Hydroxythiophenol

  The molecular weight of 3-Hydroxythiophenol is available in molecular weight page of 3-Hydroxythiophenol, 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 3-Hydroxythiophenol

  The 3-Hydroxythiophenol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-Hydroxythiophenol including the various registry numbers, if available:

  • BBV-39688555
  • C-01034
  • EN300-134541
  • A825011
  • Y-9802
  • I288
  • RTR-016073
  • MFCD01317829
  • ANW-29336
  • Jsp006961

  • 3-Mercaptophenol, 96%
  • 3-hydroxy-benzenethiol
  • 3-mercapto phenol
  • 3-HYDROXYTHIOPHENOL (3-MERCAPTOPHENOL)
  • Phenol, 3-mercapto-
  • 3-Hydroxy thiophenol
  • m-Hydroxy Thiophenol
  • 3-Hydroxybenzenethiol
  • 3-Mercaptophenol
  • 40248-84-8

  • 3-Hydroxythiophenol
  • 3-Sulphanylphenol

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3-Hydroxythiophenol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-Hydroxythiophenol?
C6H6OS
How many atoms and what are the elements included the 3-Hydroxythiophenol molecule?
14 atom(s) - 6 Hydrogen atom(s), 6 Carbon atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the 3-Hydroxythiophenol structure?
14 bond(s) - 8 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aromatic hydroxyl(s)
What’s the 3-Hydroxythiophenol’s molecular weight?
126.17624 g/mol
What’s the SMILES code of 3-Hydroxythiophenol?
Oc1cccc(S)c1
What’s the InChI string of 3-Hydroxythiophenol?
InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
What’s the InChIKey code of 3-Hydroxythiophenol?
DOFIAZGYBIBEGI-UHFFFAOYSA-N

73 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).