sodium;methanesulfonic acid;iodide

CH4INaO3S — CID 87541742

IUPACsodium;methanesulfonic acid;iodide
SMILESCS(=O)(=O)O.[I-].[Na+]
InChIInChI=1S/CH4O3S.HI.Na/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H;/q;;+1/p-1
InChIKeyWBXKIUYDVXROSJ-UHFFFAOYSA-M
MW246.00 g/mol
LogP-6.49
Rot. Bonds

About sodium;methanesulfonic acid;iodide

sodium;methanesulfonic acid;iodide (PubChem CID 87541742) has the molecular formula CH4INaO3S and a molecular weight of 246.00 g/mol. Its IUPAC name is sodium;methanesulfonic acid;iodide.

Molecular Properties

Compound Namesodium;methanesulfonic acid;iodide
PubChem CID87541742
Molecular FormulaCH4INaO3S
Molecular Weight246.00 g/mol
Exact Mass245.88
IUPAC Namesodium;methanesulfonic acid;iodide
SMILESCS(=O)(=O)O.[I-].[Na+]
InChIInChI=1S/CH4O3S.HI.Na/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H;/q;;+1/p-1
InChIKeyWBXKIUYDVXROSJ-UHFFFAOYSA-M
XLogP-6.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.00
LogP ≤ 5-6.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 72786756
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Frequently Asked Questions

What is the IUPAC name of sodium;methanesulfonic acid;iodide?
The IUPAC name of sodium;methanesulfonic acid;iodide (CID 87541742) is sodium;methanesulfonic acid;iodide.
What is the SMILES notation for sodium;methanesulfonic acid;iodide?
The canonical SMILES for sodium;methanesulfonic acid;iodide is CS(=O)(=O)O.[I-].[Na+].
What is the InChIKey of sodium;methanesulfonic acid;iodide?
The InChIKey is WBXKIUYDVXROSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.HI.Na/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H;/q;;+1/p-1.
What are the key properties of sodium;methanesulfonic acid;iodide?
sodium;methanesulfonic acid;iodide has a molecular weight of 246.00 g/mol, XLogP of -6.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanesulfonic acid;iodide is sourced from PubChem (CID 87541742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).