Home Chemical Formula (2R)-hexane-2-thiol

Chemical Formula 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 Formula Description

The (2R)-hexane-2-thiol molecule contains a total of 21 atom(s). There are 14 Hydrogen atom(s), 6 Carbon atom(s) and 1 Sulfur atom(s). A chemical formula of (2R)-hexane-2-thiol can therefore be written as:

C6H14S

The chemical formula of (2R)-hexane-2-thiol shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of (2R)-hexane-2-thiol
Ball-and-stick model of (2R)-hexane-2-thiol

Additional Information for Identifying (2R)-hexane-2-thiol Molecule

  • Structure Data File (SDF) of (2R)-hexane-2-thiol

    The structure data file (SDF) of (2R)-hexane-2-thiol is available for download in the SDF page of (2R)-hexane-2-thiol providing the information about the atoms, bonds, connectivity and coordinates of (2R)-hexane-2-thiol, which is not completely available in the chemical formula representation. The (2R)-hexane-2-thiol structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of (2R)-hexane-2-thiol

    The chemical structure image of (2R)-hexane-2-thiol is available in chemical structure page of (2R)-hexane-2-thiol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of (2R)-hexane-2-thiol and the chemical bonds that hold the atoms together.

  • Molecular weight of (2R)-hexane-2-thiol

    The molecular weight of (2R)-hexane-2-thiol is available in molecular weight page of (2R)-hexane-2-thiol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of (2R)-hexane-2-thiol.

  • InChI (IUPAC International Chemical Identifier) information of (2R)-hexane-2-thiol

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of (2R)-hexane-2-thiol is:

    InChI=1S/C6H14S/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1

    It can provide a standard way to encode the molecular information of (2R)-hexane-2-thiol to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (2R)-hexane-2-thiol is:

    InChIKey=ABNPJVOPTXYSQW-ZCFIWIBFSA-N

    The InChIKey may allow easier web searches for (2R)-hexane-2-thiol, but it needs to be linked to the full InChI to get back to the original structure of the (2R)-hexane-2-thiol since the full standard InChI cannot be reconstructed from the InChIKey.

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

    The (2R)-hexane-2-thiol compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (2R)-hexane-2-thiol including the registry numbers is given below, 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 they in the (2R)-hexane-2-thiol structure?

    21 atom(s) – 14 Hydrogen atom(s), 6 Carbon atom(s) and 1 Sulfur atom(s)
  • How many chemical bonds and what are they in 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 molecular weight of (2R)-hexane-2-thiol?

    118.24036 g/mol
  • What’s the SMILES string of (2R)-hexane-2-thiol?

    CCCCC(C)S
  • What’s the InChI 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 of (2R)-hexane-2-thiol?

    ABNPJVOPTXYSQW-ZCFIWIBFSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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