Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of METHANESULFONIC ACID is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of METHANESULFONIC ACID molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of METHANESULFONIC ACID
Ball-and-stick model of METHANESULFONIC ACID

Additional Information for Identifying METHANESULFONIC ACID Molecule

  • Chemical structure of METHANESULFONIC ACID

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of METHANESULFONIC ACID is available in chemical structure page of METHANESULFONIC ACID, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of METHANESULFONIC ACID

    The molecular weight of METHANESULFONIC ACID is available in molecular weight page of METHANESULFONIC ACID, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of METHANESULFONIC ACID

    The chemical formula of METHANESULFONIC ACID is given in chemical formula page of METHANESULFONIC ACID, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of METHANESULFONIC ACID

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of METHANESULFONIC ACID is:

    InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)

    It can provide a standard way to encode the molecular information of METHANESULFONIC ACID 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 METHANESULFONIC ACID is:

    InChIKey=AFVFQIVMOAPDHO-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for METHANESULFONIC ACID, but it needs to be linked to the full InChI to get back to the original structure of the METHANESULFONIC ACID since the full standard InChI cannot be reconstructed from the InChIKey.

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

    The METHANESULFONIC ACID compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of METHANESULFONIC ACID including the registry numbers are listed below, if available:

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

METHANESULFONIC ACID Identification Summary Frequently Asked Questions (FAQs)

  • What’s the METHANESULFONIC ACID formula?

    CH4O3S
  • How many atoms and what elements are included in 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 in 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 molar mass?

    96.10566 g/mol
  • What’s the SMILES structure of METHANESULFONIC ACID?

    CS(O)(=O)=O
  • What’s the InChI code of METHANESULFONIC ACID?

    InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
  • What’s the InChIKey format of METHANESULFONIC ACID?

    AFVFQIVMOAPDHO-UHFFFAOYSA-N

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