hydron;methanesulfonic acid

CH5O3S+ — CID 19767432

IUPAChydron;methanesulfonic acid
SMILESCS(=O)(=O)O.[H+]
InChIInChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p+1
InChIKeyAFVFQIVMOAPDHO-UHFFFAOYSA-O
MW97.11 g/mol
LogP-0.38
Rot. Bonds

About hydron;methanesulfonic acid

hydron;methanesulfonic acid (PubChem CID 19767432) has the molecular formula CH5O3S+ and a molecular weight of 97.11 g/mol. Its IUPAC name is hydron;methanesulfonic acid.

Molecular Properties

Compound Namehydron;methanesulfonic acid
PubChem CID19767432
Molecular FormulaCH5O3S+
Molecular Weight97.11 g/mol
Exact Mass97.00
IUPAC Namehydron;methanesulfonic acid
SMILESCS(=O)(=O)O.[H+]
InChIInChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p+1
InChIKeyAFVFQIVMOAPDHO-UHFFFAOYSA-O
XLogP-0.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 87129852
CID 87129852
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
sodium;methanesulfonic acid;iodide
CID 87541742
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
azane;methanesulfonic acid;hydrate
CID 141152760
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
methanesulfonic acid;hydrate;hydrochloride
CID 140967673

Frequently Asked Questions

What is the IUPAC name of hydron;methanesulfonic acid?
The IUPAC name of hydron;methanesulfonic acid (CID 19767432) is hydron;methanesulfonic acid.
What is the SMILES notation for hydron;methanesulfonic acid?
The canonical SMILES for hydron;methanesulfonic acid is CS(=O)(=O)O.[H+].
What is the InChIKey of hydron;methanesulfonic acid?
The InChIKey is AFVFQIVMOAPDHO-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p+1.
What are the key properties of hydron;methanesulfonic acid?
hydron;methanesulfonic acid has a molecular weight of 97.11 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methanesulfonic acid is sourced from PubChem (CID 19767432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).