methylsulfinylformic acid

C2H4O3S — CID 57268856

IUPACmethylsulfinylformic acid
SMILESCS(=O)C(=O)O
InChIInChI=1S/C2H4O3S/c1-6(5)2(3)4/h1H3,(H,3,4)
InChIKeyRWQNCDOBODGFFR-UHFFFAOYSA-N
MW108.12 g/mol
LogP0.04
Rot. Bonds

About methylsulfinylformic acid

methylsulfinylformic acid (PubChem CID 57268856) has the molecular formula C2H4O3S and a molecular weight of 108.12 g/mol. Its IUPAC name is methylsulfinylformic acid.

Molecular Properties

Compound Namemethylsulfinylformic acid
PubChem CID57268856
Molecular FormulaC2H4O3S
Molecular Weight108.12 g/mol
Exact Mass107.99
IUPAC Namemethylsulfinylformic acid
SMILESCS(=O)C(=O)O
InChIInChI=1S/C2H4O3S/c1-6(5)2(3)4/h1H3,(H,3,4)
InChIKeyRWQNCDOBODGFFR-UHFFFAOYSA-N
XLogP0.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;carbonic acid;hydride;methylsulfinylmethane
CID 174796839
dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
CID 158046491
hydrogen peroxide;methylsulfinylmethane
CID 175320935
acetic acid;methanol;methylsulfinylmethane
CID 88618102
potassium methylsulfinylmethane
CID 22410893
potassium;acetic acid;hydrogen sulfite
CID 174668160
methoxysulfinylformic acid
CID 169087716
methylsulfinylmethane
CID 21183497
potassium;acetic acid;hydride
CID 173209804
CID 88840644
CID 88840644
potassium;acetic acid;boranuide
CID 173329515
dipotassium;carbonothioic O,S-acid;sulfite
CID 175302282

Frequently Asked Questions

What is the IUPAC name of methylsulfinylformic acid?
The IUPAC name of methylsulfinylformic acid (CID 57268856) is methylsulfinylformic acid.
What is the SMILES notation for methylsulfinylformic acid?
The canonical SMILES for methylsulfinylformic acid is CS(=O)C(=O)O.
What is the InChIKey of methylsulfinylformic acid?
The InChIKey is RWQNCDOBODGFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3S/c1-6(5)2(3)4/h1H3,(H,3,4).
What are the key properties of methylsulfinylformic acid?
methylsulfinylformic acid has a molecular weight of 108.12 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylformic acid is sourced from PubChem (CID 57268856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).