disodium;ethanolate;hydrogen sulfate

C2H6Na2O5S — CID 162719425

IUPACdisodium;ethanolate;hydrogen sulfate
SMILESCC[O-].O=S(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/C2H5O.2Na.H2O4S/c1-2-3;;;1-5(2,3)4/h2H2,1H3;;;(H2,1,2,3,4)/q-1;2*+1;/p-1
InChIKeyFGWHNTWCEHCJCM-UHFFFAOYSA-M
MW188.11 g/mol
LogP-7.62
Rot. Bonds

About disodium;ethanolate;hydrogen sulfate

disodium;ethanolate;hydrogen sulfate (PubChem CID 162719425) has the molecular formula C2H6Na2O5S and a molecular weight of 188.11 g/mol. Its IUPAC name is disodium;ethanolate;hydrogen sulfate.

Molecular Properties

Compound Namedisodium;ethanolate;hydrogen sulfate
PubChem CID162719425
Molecular FormulaC2H6Na2O5S
Molecular Weight188.11 g/mol
Exact Mass187.97
IUPAC Namedisodium;ethanolate;hydrogen sulfate
SMILESCC[O-].O=S(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/C2H5O.2Na.H2O4S/c1-2-3;;;1-5(2,3)4/h2H2,1H3;;;(H2,1,2,3,4)/q-1;2*+1;/p-1
InChIKeyFGWHNTWCEHCJCM-UHFFFAOYSA-M
XLogP-7.62
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-7.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 disodium;ethanolate;hydrogen sulfate?
The IUPAC name of disodium;ethanolate;hydrogen sulfate (CID 162719425) is disodium;ethanolate;hydrogen sulfate.
What is the SMILES notation for disodium;ethanolate;hydrogen sulfate?
The canonical SMILES for disodium;ethanolate;hydrogen sulfate is CC[O-].O=S(=O)([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;ethanolate;hydrogen sulfate?
The InChIKey is FGWHNTWCEHCJCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5O.2Na.H2O4S/c1-2-3;;;1-5(2,3)4/h2H2,1H3;;;(H2,1,2,3,4)/q-1;2*+1;/p-1.
What are the key properties of disodium;ethanolate;hydrogen sulfate?
disodium;ethanolate;hydrogen sulfate has a molecular weight of 188.11 g/mol, XLogP of -7.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethanolate;hydrogen sulfate is sourced from PubChem (CID 162719425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).