Formula of Sulfoxylic acid (H2O2S)
Identification of Sulfoxylic acid Chemical Compound
Chemical Formula | H2O2S |
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Molecular Weight | 66.07968 g/mol |
IUPAC Name | O-(hydroxysulfanyl)oxidanol |
SMILES String | OSO |
InChI | InChI=1S/H2O2S/c1-3-2/h1-2H |
InChIKey | HRKQOINLCJTGBK-UHFFFAOYSA-N |
Chemical Formula Description
The sulfoxylic acid molecule contains a total of 5 atom(s). There are 2 Hydrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s). A chemical formula of sulfoxylic acid can therefore be written as:
H2O2S
The chemical formula of sulfoxylic acid 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.
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- CAS #: 64-17-5
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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 Sulfoxylic acid Molecule
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Structure Data File (SDF/MOL File) of sulfoxylic acid
The structure data file (SDF/MOL File) of sulfoxylic acid is available for download in the SDF page of sulfoxylic acid providing the information about the atoms, bonds, connectivity and coordinates of sulfoxylic acid, which is not completely available in the chemical formula representation. The sulfoxylic acid structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of sulfoxylic acid
The chemical structure image of sulfoxylic acid is available in chemical structure page of sulfoxylic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of sulfoxylic acid and the chemical bonds that hold the atoms together.
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Molecular weight of sulfoxylic acid
The molecular weight of sulfoxylic acid is available in molecular weight page of sulfoxylic acid, 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 sulfoxylic acid.
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InChI (IUPAC International Chemical Identifier) information of sulfoxylic acid
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of sulfoxylic acid is:
InChI=1S/H2O2S/c1-3-2/h1-2H
It can provide a standard way to encode the molecular information of sulfoxylic 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 sulfoxylic acid is:
InChIKey=HRKQOINLCJTGBK-UHFFFAOYSA-N
The InChIKey may allow easier web searches for sulfoxylic acid, but it needs to be linked to the full InChI to get back to the original structure of the sulfoxylic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of sulfoxylic acid
The sulfoxylic acid compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of sulfoxylic acid including the registry numbers is given below, if available:
- [S(OH)2]
- dihydroxidosulfur
- Dihydroxysulfur
- H2SO2
- thioalcohol
- 20196-46-7
- sulfanediol
- sulfoxylic acid
Sulfoxylic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of sulfoxylic acid? |
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H2O2S |
How many atoms and what are they in the sulfoxylic acid structure? |
5 atom(s) - 2 Hydrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what are they in the sulfoxylic acid structure? |
4 bond(s) - 2 non-H bond(s) and 2 hydroxyl group(s) |
What’s the molecular weight of sulfoxylic acid? |
66.07968 g/mol |
What’s the SMILES string of sulfoxylic acid? |
OSO |
What’s the InChI of sulfoxylic acid? |
InChI=1S/H2O2S/c1-3-2/h1-2H |
What’s the InChIKey of sulfoxylic acid? |
HRKQOINLCJTGBK-UHFFFAOYSA-N |
1053
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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).