methanesulfonic acid;sulfur monoxide

CH4O4S2 — CID 174707848

IUPACmethanesulfonic acid;sulfur monoxide
SMILESCS(=O)(=O)O.O=S
InChIInChI=1S/CH4O3S.OS/c1-5(2,3)4;1-2/h1H3,(H,2,3,4);
InChIKeyWZSTYDDFMCTKBU-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.83
Rot. Bonds

About methanesulfonic acid;sulfur monoxide

methanesulfonic acid;sulfur monoxide (PubChem CID 174707848) has the molecular formula CH4O4S2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methanesulfonic acid;sulfur monoxide.

Molecular Properties

Compound Namemethanesulfonic acid;sulfur monoxide
PubChem CID174707848
Molecular FormulaCH4O4S2
Molecular Weight144.17 g/mol
Exact Mass143.96
IUPAC Namemethanesulfonic acid;sulfur monoxide
SMILESCS(=O)(=O)O.O=S
InChIInChI=1S/CH4O3S.OS/c1-5(2,3)4;1-2/h1H3,(H,2,3,4);
InChIKeyWZSTYDDFMCTKBU-UHFFFAOYSA-N
XLogP-0.83
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
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
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;sulfur monoxide?
The IUPAC name of methanesulfonic acid;sulfur monoxide (CID 174707848) is methanesulfonic acid;sulfur monoxide.
What is the SMILES notation for methanesulfonic acid;sulfur monoxide?
The canonical SMILES for methanesulfonic acid;sulfur monoxide is CS(=O)(=O)O.O=S.
What is the InChIKey of methanesulfonic acid;sulfur monoxide?
The InChIKey is WZSTYDDFMCTKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.OS/c1-5(2,3)4;1-2/h1H3,(H,2,3,4);.
What are the key properties of methanesulfonic acid;sulfur monoxide?
methanesulfonic acid;sulfur monoxide has a molecular weight of 144.17 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;sulfur monoxide is sourced from PubChem (CID 174707848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).