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Structure & Deep Data of METHANESULFONIC ACID (CH4O3S)

Identification of METHANESULFONIC ACID Chemical Compound

2D chemical structure image of METHANESULFONIC ACID
Chemical Formula CH4O3S
Molecular Weight 96.10566 g/mol
IUPAC Name methanesulfonic acid
SMILES String CS(O)(=O)=O
InChI InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKey AFVFQIVMOAPDHO-UHFFFAOYSA-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 METHANESULFONIC ACID molecule contains a total of 8 bond(s). There are 4 non-H bond(s), 2 multiple bond(s), 2 double bond(s), 1 hydroxyl group(s), and 1 sulfonic (thio-/dithio-) acid(s). Images of the chemical structure of METHANESULFONIC ACID are given below:

2D chemical structure image of METHANESULFONIC ACID
2-dimensional (2D) chemical structure image of METHANESULFONIC ACID
3D chemical structure image of METHANESULFONIC ACID
3-dimensional (3D) chemical structure image of METHANESULFONIC ACID

The 2D chemical structure image of METHANESULFONIC ACID is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of METHANESULFONIC ACID 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 METHANESULFONIC ACID 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 METHANESULFONIC ACID. 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 METHANESULFONIC ACID is provided here.

The METHANESULFONIC ACID 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 METHANESULFONIC ACID 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 METHANESULFONIC ACID 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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  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying METHANESULFONIC ACID Molecule

  • Other names (synonyms) or registry numbers of METHANESULFONIC ACID

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

    • BBV-212844
    • Methanesulfonic acid, PharmaGrade, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production
    • 98527-29-8
    • 87128-90-3
    • 62203-24-1
    • 44209-72-5
    • 44209-64-5
    • 125756-91-4
    • 1129867-34-0
    • Methanesulfonic acid concentrate, 0.1 M CH3SO3H in water (0.1N), eluent concentrate for IC
    • Methanesulfonic acid solution, 4 M (with 0.2% (w/v) tryptamine)
    • Z940713430
    • F1908-0093
    • Methanesulfonic acid, Vetec(TM) reagent grade, 98%
    • J-521696
    • I04-0988
    • Methanesulfonic acid solution, 70 wt. % in H2O
    • Methanesulfonic acid, for HPLC, >=99.5% (T)
    • Methanesulfonic acid, >=99.0%, ReagentPlus(R)
    • M2059
    • M0093
    • 56525-23-6 (iron(2+) salt)
    • 54253-62-2 (copper(2+) salt)
    • 115449-98-4
    • METHANESULFONIC ACID, 70% SOLN
    • CAS-75-75-2
    • 2386-52-9 (silver(1+) salt)
    • RTR-033651
    • 12EH9M7279
    • Methane Sulfonic Acid, 70% Solution
    • ANW-42735
    • 2386-57-4 (hydrochloride salt)
    • Methanesulfonic acid, 98% 100g
    • 22515-76-0 (ammonium salt)
    • 2386-56-3 (potassium salt)
    • Methanesulfonic acid, >=99.0%
    • Methanesulfonic acid, anhydrous
    • Methanesulfonic acid, 99.5%
    • Methane Sulfonic Acid 99%
    • METHANE SULFONIC ACID
    • CH3SO3H
    • Methanesulfonic acid, ammonium salt (1:1)
    • METHYL, SULFO-
    • LACTIC ACID(DL)
    • methanesulphonic-acid-
    • methane-sulphonic acid
    • methane sulphonic acid
    • methane-sulfonic acid
    • methyl-sulfonic acid
    • methyl sulfonic acid
    • methanesuiphonic acid
    • 03S
    • methylsulphonic acid
    • methansulphonic acid
    • Methanesulfonic acid, ammonium salt
    • methansulfonic acid
    • Mesic acid
    • Mesylic acid
    • Methanesulfonic Acid Ammonium Salt
    • 75-75-2 (Parent)
    • 22515-76-0
    • Methane sulfonic acid-d
    • MFCD00007518
    • Sulfomethane
    • Kyselina methansulfonova [Czech]
    • Ammonium methanesulfonate
    • Methanesulfonicacid
    • Methansulfonsaeure
    • Mesylate
    • Kyselina methansulfonova
    • Methanesulphonic acid
    • Methylsulfonic acid
    • 75-75-2

METHANESULFONIC ACID Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of METHANESULFONIC ACID?
CH4O3S
How many atoms and what are the elements included the METHANESULFONIC ACID molecule?
9 atom(s) - 4 Hydrogen atom(s), 1 Carbon atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the METHANESULFONIC ACID structure?
8 bond(s) - 4 non-H bond(s), 2 multiple bond(s), 2 double bond(s), 1 hydroxyl group(s), and 1 sulfonic (thio-/dithio-) acid(s)
What’s the METHANESULFONIC ACID’s molecular weight?
96.10566 g/mol
What’s the SMILES code of METHANESULFONIC ACID?
CS(O)(=O)=O
What’s the InChI string of METHANESULFONIC ACID?
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
What’s the InChIKey code of METHANESULFONIC ACID?
AFVFQIVMOAPDHO-UHFFFAOYSA-N

653 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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