sodium;azane;hydrogen sulfate;hydrochloride

H8ClN2NaO4S — CID 173374550

IUPACsodium;azane;hydrogen sulfate;hydrochloride
SMILESCl.N.N.O=S(=O)([O-])O.[Na+]
InChIInChI=1S/ClH.2H3N.Na.H2O4S/c;;;;1-5(2,3)4/h1H;2*1H3;;(H2,1,2,3,4)/q;;;+1;/p-1
InChIKeyOFPRDKRACCGQAI-UHFFFAOYSA-M
MW190.58 g/mol
LogP-3.25
Rot. Bonds

About sodium;azane;hydrogen sulfate;hydrochloride

sodium;azane;hydrogen sulfate;hydrochloride (PubChem CID 173374550) has the molecular formula H8ClN2NaO4S and a molecular weight of 190.58 g/mol. Its IUPAC name is sodium;azane;hydrogen sulfate;hydrochloride.

Molecular Properties

Compound Namesodium;azane;hydrogen sulfate;hydrochloride
PubChem CID173374550
Molecular FormulaH8ClN2NaO4S
Molecular Weight190.58 g/mol
Exact Mass189.98
IUPAC Namesodium;azane;hydrogen sulfate;hydrochloride
SMILESCl.N.N.O=S(=O)([O-])O.[Na+]
InChIInChI=1S/ClH.2H3N.Na.H2O4S/c;;;;1-5(2,3)4/h1H;2*1H3;;(H2,1,2,3,4)/q;;;+1;/p-1
InChIKeyOFPRDKRACCGQAI-UHFFFAOYSA-M
XLogP-3.25
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.58
LogP ≤ 5-3.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;azane;hydrogen sulfate;hydrochloride?
The IUPAC name of sodium;azane;hydrogen sulfate;hydrochloride (CID 173374550) is sodium;azane;hydrogen sulfate;hydrochloride.
What is the SMILES notation for sodium;azane;hydrogen sulfate;hydrochloride?
The canonical SMILES for sodium;azane;hydrogen sulfate;hydrochloride is Cl.N.N.O=S(=O)([O-])O.[Na+].
What is the InChIKey of sodium;azane;hydrogen sulfate;hydrochloride?
The InChIKey is OFPRDKRACCGQAI-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.2H3N.Na.H2O4S/c;;;;1-5(2,3)4/h1H;2*1H3;;(H2,1,2,3,4)/q;;;+1;/p-1.
What are the key properties of sodium;azane;hydrogen sulfate;hydrochloride?
sodium;azane;hydrogen sulfate;hydrochloride has a molecular weight of 190.58 g/mol, XLogP of -3.25, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;hydrogen sulfate;hydrochloride is sourced from PubChem (CID 173374550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).