sodium;methanesulfonic acid;methanolate

C2H7NaO4S — CID 162335576

IUPACsodium;methanesulfonic acid;methanolate
SMILESCS(=O)(=O)O.C[O-].[Na+]
InChIInChI=1S/CH4O3S.CH3O.Na/c1-5(2,3)4;1-2;/h1H3,(H,2,3,4);1H3;/q;-1;+1
InChIKeyJTQYHRUKDJRQLI-UHFFFAOYSA-N
MW150.13 g/mol
LogP-4.52
Rot. Bonds

About sodium;methanesulfonic acid;methanolate

sodium;methanesulfonic acid;methanolate (PubChem CID 162335576) has the molecular formula C2H7NaO4S and a molecular weight of 150.13 g/mol. Its IUPAC name is sodium;methanesulfonic acid;methanolate.

Molecular Properties

Compound Namesodium;methanesulfonic acid;methanolate
PubChem CID162335576
Molecular FormulaC2H7NaO4S
Molecular Weight150.13 g/mol
Exact Mass150.00
IUPAC Namesodium;methanesulfonic acid;methanolate
SMILESCS(=O)(=O)O.C[O-].[Na+]
InChIInChI=1S/CH4O3S.CH3O.Na/c1-5(2,3)4;1-2;/h1H3,(H,2,3,4);1H3;/q;-1;+1
InChIKeyJTQYHRUKDJRQLI-UHFFFAOYSA-N
XLogP-4.52
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-4.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 72786756
methane;methanesulfonic acid
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CID 141152760
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Frequently Asked Questions

What is the IUPAC name of sodium;methanesulfonic acid;methanolate?
The IUPAC name of sodium;methanesulfonic acid;methanolate (CID 162335576) is sodium;methanesulfonic acid;methanolate.
What is the SMILES notation for sodium;methanesulfonic acid;methanolate?
The canonical SMILES for sodium;methanesulfonic acid;methanolate is CS(=O)(=O)O.C[O-].[Na+].
What is the InChIKey of sodium;methanesulfonic acid;methanolate?
The InChIKey is JTQYHRUKDJRQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.CH3O.Na/c1-5(2,3)4;1-2;/h1H3,(H,2,3,4);1H3;/q;-1;+1.
What are the key properties of sodium;methanesulfonic acid;methanolate?
sodium;methanesulfonic acid;methanolate has a molecular weight of 150.13 g/mol, XLogP of -4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanesulfonic acid;methanolate is sourced from PubChem (CID 162335576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).