Structure & Deep Data of Biphenyl-4,4'-dithiol (C12H10S2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The biphenyl-4,4'-dithiol molecule contains a total of 25 bond(s). There are 15 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 12 aromatic bond(s), and 2 six-membered ring(s). Images of the chemical structure of biphenyl-4,4'-dithiol are given below:

The 2D chemical structure image of biphenyl-4,4'-dithiol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of biphenyl-4,4'-dithiol 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 biphenyl-4,4'-dithiol 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 biphenyl-4,4'-dithiol. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Biphenyl-4,4'-dithiol Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of biphenyl-4,4'-dithiol

  The SMILES string of biphenyl-4,4'-dithiol is Sc1ccc(cc1)c2ccc(S)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the biphenyl-4,4'-dithiol.

• Structure Data File (SDF/MOL File) of biphenyl-4,4'-dithiol

  The structure data file (SDF/MOL File) of biphenyl-4,4'-dithiol is available for download in the SDF page of biphenyl-4,4'-dithiol, which provides the information about the atoms, bonds, connectivity and coordinates of biphenyl-4,4'-dithiol. The biphenyl-4,4'-dithiol structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of biphenyl-4,4'-dithiol

  The molecular formula of biphenyl-4,4'-dithiol is available in chemical formula page of biphenyl-4,4'-dithiol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of biphenyl-4,4'-dithiol

  The molecular weight of biphenyl-4,4'-dithiol is available in molecular weight page of biphenyl-4,4'-dithiol, 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 biphenyl-4,4'-dithiol

  The biphenyl-4,4'-dithiol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of biphenyl-4,4'-dithiol including the various registry numbers, if available:

  • AR-1H9888
  • 3B1-007422
  • C-52823
  • 4,4 inverted exclamation marka-Dimercaptobiphenyl
  • Biphenyl-4,4 inverted exclamation marka-dithiol
  • O728
  • MFCD00046826
  • ANW-35707
  • 4-(4-sulfanylphenyl)benzenethiol
  • Biphenyl-4,4'-dithiol, 95%

  • BPDT
  • (1,1'-Biphenyl)-4,4'-dithiol
  • [1,1'-biphenyl]-4,4'-dithiol
  • 4,4'-Thiobiphenyl
  • 4,4'-Dimercaptobiphenyl
  • 6954-27-4
  • 4,4'-Biphenyldithiol
  • biphenyl-4,4'-dithiol
  • DRF2J4LARU
  • 4,4'-Biphenylldithiol

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Biphenyl-4,4'-dithiol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of biphenyl-4,4'-dithiol?
C12H10S2
How many atoms and what are the elements included the biphenyl-4,4'-dithiol molecule?
24 atom(s) - 10 Hydrogen atom(s), 12 Carbon atom(s), and 2 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the biphenyl-4,4'-dithiol structure?
25 bond(s) - 15 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 12 aromatic bond(s), and 2 six-membered ring(s)
What’s the biphenyl-4,4'-dithiol’s molecular weight?
218.3378 g/mol
What’s the SMILES code of biphenyl-4,4'-dithiol?
Sc1ccc(cc1)c2ccc(S)cc2
What’s the InChI string of biphenyl-4,4'-dithiol?
InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
What’s the InChIKey code of biphenyl-4,4'-dithiol?
VRPKUXAKHIINGG-UHFFFAOYSA-N

424 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).