sodium;sulfuric acid;hydroxide;hydrochloride

H4ClNaO5S — CID 159136854

IUPACsodium;sulfuric acid;hydroxide;hydrochloride
SMILESCl.O=S(=O)(O)O.[Na+].[OH-]
InChIInChI=1S/ClH.Na.H2O4S.H2O/c;;1-5(2,3)4;/h1H;;(H2,1,2,3,4);1H2/q;+1;;/p-1
InChIKeyKHPGPQHYSWRONN-UHFFFAOYSA-M
MW174.54 g/mol
LogP-3.40
Rot. Bonds

About sodium;sulfuric acid;hydroxide;hydrochloride

sodium;sulfuric acid;hydroxide;hydrochloride (PubChem CID 159136854) has the molecular formula H4ClNaO5S and a molecular weight of 174.54 g/mol. Its IUPAC name is sodium;sulfuric acid;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;sulfuric acid;hydroxide;hydrochloride
PubChem CID159136854
Molecular FormulaH4ClNaO5S
Molecular Weight174.54 g/mol
Exact Mass173.94
IUPAC Namesodium;sulfuric acid;hydroxide;hydrochloride
SMILESCl.O=S(=O)(O)O.[Na+].[OH-]
InChIInChI=1S/ClH.Na.H2O4S.H2O/c;;1-5(2,3)4;/h1H;;(H2,1,2,3,4);1H2/q;+1;;/p-1
InChIKeyKHPGPQHYSWRONN-UHFFFAOYSA-M
XLogP-3.40
TPSA104.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.54
LogP ≤ 5-3.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;sulfuric acid;hydroxide;hydrochloride?
The IUPAC name of sodium;sulfuric acid;hydroxide;hydrochloride (CID 159136854) is sodium;sulfuric acid;hydroxide;hydrochloride.
What is the SMILES notation for sodium;sulfuric acid;hydroxide;hydrochloride?
The canonical SMILES for sodium;sulfuric acid;hydroxide;hydrochloride is Cl.O=S(=O)(O)O.[Na+].[OH-].
What is the InChIKey of sodium;sulfuric acid;hydroxide;hydrochloride?
The InChIKey is KHPGPQHYSWRONN-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.Na.H2O4S.H2O/c;;1-5(2,3)4;/h1H;;(H2,1,2,3,4);1H2/q;+1;;/p-1.
What are the key properties of sodium;sulfuric acid;hydroxide;hydrochloride?
sodium;sulfuric acid;hydroxide;hydrochloride has a molecular weight of 174.54 g/mol, XLogP of -3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfuric acid;hydroxide;hydrochloride is sourced from PubChem (CID 159136854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).