Structure & Deep Data of METHANESULFONIC ACID (CH4O3S)
Identification of METHANESULFONIC ACID Chemical Compound
Chemical Formula | CH4O3S |
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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:
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.
chemical table area
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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- 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
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SMILES (Simplified Molecular-Input Line-Entry System) string of METHANESULFONIC ACID
The SMILES string of METHANESULFONIC ACID is CS(O)(=O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the METHANESULFONIC ACID.
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Structure Data File (SDF/MOL File) of METHANESULFONIC ACID
The structure data file (SDF/MOL File) of METHANESULFONIC ACID is available for download in the SDF page of METHANESULFONIC ACID, which provides the information about the atoms, bonds, connectivity and coordinates of METHANESULFONIC ACID. The METHANESULFONIC ACID structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of METHANESULFONIC ACID
The molecular formula of METHANESULFONIC ACID is available 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.
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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 weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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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? |
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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
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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).