sodium;butane-1-sulfonic acid;hydroxide

C4H11NaO4S — CID 175272255

IUPACsodium;butane-1-sulfonic acid;hydroxide
SMILESCCCCS(=O)(=O)O.[Na+].[OH-]
InChIInChI=1S/C4H10O3S.Na.H2O/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;1H2/q;+1;/p-1
InChIKeyOLQHNSZWLPRPID-UHFFFAOYSA-M
MW178.18 g/mol
LogP-2.50
Rot. Bonds3

About sodium;butane-1-sulfonic acid;hydroxide

sodium;butane-1-sulfonic acid;hydroxide (PubChem CID 175272255) has the molecular formula C4H11NaO4S and a molecular weight of 178.18 g/mol. Its IUPAC name is sodium;butane-1-sulfonic acid;hydroxide.

Molecular Properties

Compound Namesodium;butane-1-sulfonic acid;hydroxide
PubChem CID175272255
Molecular FormulaC4H11NaO4S
Molecular Weight178.18 g/mol
Exact Mass178.03
IUPAC Namesodium;butane-1-sulfonic acid;hydroxide
SMILESCCCCS(=O)(=O)O.[Na+].[OH-]
InChIInChI=1S/C4H10O3S.Na.H2O/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;1H2/q;+1;/p-1
InChIKeyOLQHNSZWLPRPID-UHFFFAOYSA-M
XLogP-2.50
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.50
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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Frequently Asked Questions

What is the IUPAC name of sodium;butane-1-sulfonic acid;hydroxide?
The IUPAC name of sodium;butane-1-sulfonic acid;hydroxide (CID 175272255) is sodium;butane-1-sulfonic acid;hydroxide.
What is the SMILES notation for sodium;butane-1-sulfonic acid;hydroxide?
The canonical SMILES for sodium;butane-1-sulfonic acid;hydroxide is CCCCS(=O)(=O)O.[Na+].[OH-].
What is the InChIKey of sodium;butane-1-sulfonic acid;hydroxide?
The InChIKey is OLQHNSZWLPRPID-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O3S.Na.H2O/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;1H2/q;+1;/p-1.
What are the key properties of sodium;butane-1-sulfonic acid;hydroxide?
sodium;butane-1-sulfonic acid;hydroxide has a molecular weight of 178.18 g/mol, XLogP of -2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butane-1-sulfonic acid;hydroxide is sourced from PubChem (CID 175272255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).