SDF/Mol File 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 |
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.
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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
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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.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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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.
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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.
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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:
- 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 METHANESULFONIC ACID formula? |
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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: 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).