methoxysulfinylformic acid

C2H4O4S — CID 169087716

IUPACmethoxysulfinylformic acid
SMILESCOS(=O)C(=O)O
InChIInChI=1S/C2H4O4S/c1-6-7(5)2(3)4/h1H3,(H,3,4)
InChIKeyZGAGNFOGBVTYIP-UHFFFAOYSA-N
MW124.12 g/mol
LogP-0.03
Rot. Bonds1

About methoxysulfinylformic acid

methoxysulfinylformic acid (PubChem CID 169087716) has the molecular formula C2H4O4S and a molecular weight of 124.12 g/mol. Its IUPAC name is methoxysulfinylformic acid.

Molecular Properties

Compound Namemethoxysulfinylformic acid
PubChem CID169087716
Molecular FormulaC2H4O4S
Molecular Weight124.12 g/mol
Exact Mass123.98
IUPAC Namemethoxysulfinylformic acid
SMILESCOS(=O)C(=O)O
InChIInChI=1S/C2H4O4S/c1-6-7(5)2(3)4/h1H3,(H,3,4)
InChIKeyZGAGNFOGBVTYIP-UHFFFAOYSA-N
XLogP-0.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

methylsulfinylformic acid
CID 57268856
potassium;carbonic acid;hydride;methylsulfinylmethane
CID 174796839
dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
CID 158046491
potassium;acetic acid;hydrogen sulfite
CID 174668160
acetic acid;ruthenium
CID 175502908
hydrogen peroxide;methylsulfinylmethane
CID 175320935
ethane;methyl methanesulfinate
CID 90810539
carbonic acid;methyl hydrogen carbonate
CID 175554276
carbonic acid;ruthenium
CID 87059075
magnesium methyl sulfite
CID 88792923
potassium methyl acetate
CID 58140264
methyl hydrogen carbonate;propan-2-one
CID 157174234

Frequently Asked Questions

What is the IUPAC name of methoxysulfinylformic acid?
The IUPAC name of methoxysulfinylformic acid (CID 169087716) is methoxysulfinylformic acid.
What is the SMILES notation for methoxysulfinylformic acid?
The canonical SMILES for methoxysulfinylformic acid is COS(=O)C(=O)O.
What is the InChIKey of methoxysulfinylformic acid?
The InChIKey is ZGAGNFOGBVTYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4S/c1-6-7(5)2(3)4/h1H3,(H,3,4).
What are the key properties of methoxysulfinylformic acid?
methoxysulfinylformic acid has a molecular weight of 124.12 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfinylformic acid is sourced from PubChem (CID 169087716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).