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Structure & Deep Data of (2R)-hexane-2-thiol (C6H14S)

Identification of (2R)-hexane-2-thiol Chemical Compound

2D chemical structure image of (2R)-hexane-2-thiol
Chemical Formula C6H14S
Molecular Weight 118.24036 g/mol
IUPAC Name (2R)-hexane-2-thiol
SMILES String CCCCC(C)S
InChI InChI=1S/C6H14S/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChIKey ABNPJVOPTXYSQW-ZCFIWIBFSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (2R)-hexane-2-thiol molecule contains a total of 20 bond(s). There are 6 non-H bond(s), 3 rotatable bond(s), and 1 thiol(s). Images of the chemical structure of (2R)-hexane-2-thiol are given below:

2D chemical structure image of (2R)-hexane-2-thiol
2-dimensional (2D) chemical structure image of (2R)-hexane-2-thiol
3D chemical structure image of (2R)-hexane-2-thiol
3-dimensional (3D) chemical structure image of (2R)-hexane-2-thiol

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


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of (2R)-hexane-2-thiol is provided here.

The (2R)-hexane-2-thiol molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the (2R)-hexane-2-thiol molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of (2R)-hexane-2-thiol can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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  • CAS #: 64-17-5
  • Formula: C2H5OH
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Additional Information for Identifying (2R)-hexane-2-thiol Molecule

  • Other names (synonyms) or registry numbers of (2R)-hexane-2-thiol

    The (2R)-hexane-2-thiol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (2R)-hexane-2-thiol including the various registry numbers, if available:



    None available.


(2R)-hexane-2-thiol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (2R)-hexane-2-thiol?
C6H14S
How many atoms and what are the elements included the (2R)-hexane-2-thiol molecule?
21 atom(s) - 14 Hydrogen atom(s), 6 Carbon atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the (2R)-hexane-2-thiol structure?
20 bond(s) - 6 non-H bond(s), 3 rotatable bond(s), and 1 thiol(s)
What’s the (2R)-hexane-2-thiol’s molecular weight?
118.24036 g/mol
What’s the SMILES code of (2R)-hexane-2-thiol?
CCCCC(C)S
What’s the InChI string of (2R)-hexane-2-thiol?
InChI=1S/C6H14S/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1
What’s the InChIKey code of (2R)-hexane-2-thiol?
ABNPJVOPTXYSQW-ZCFIWIBFSA-N

89 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).

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