sodium;ethoxyethane;hydride;propane-1-sulfonic acid

C7H19NaO4S — CID 174886586

IUPACsodium;ethoxyethane;hydride;propane-1-sulfonic acid
SMILESCCCS(=O)(=O)O.CCOCC.[H-].[Na+]
InChIInChI=1S/C4H10O.C3H8O3S.Na.H/c1-3-5-4-2;1-2-3-7(4,5)6;;/h3-4H2,1-2H3;2-3H2,1H3,(H,4,5,6);;/q;;+1;-1
InChIKeyZFGWVPBXBBAHOJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP-1.56
Rot. Bonds4

About sodium;ethoxyethane;hydride;propane-1-sulfonic acid

sodium;ethoxyethane;hydride;propane-1-sulfonic acid (PubChem CID 174886586) has the molecular formula C7H19NaO4S and a molecular weight of 222.28 g/mol. Its IUPAC name is sodium;ethoxyethane;hydride;propane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;ethoxyethane;hydride;propane-1-sulfonic acid
PubChem CID174886586
Molecular FormulaC7H19NaO4S
Molecular Weight222.28 g/mol
Exact Mass222.09
IUPAC Namesodium;ethoxyethane;hydride;propane-1-sulfonic acid
SMILESCCCS(=O)(=O)O.CCOCC.[H-].[Na+]
InChIInChI=1S/C4H10O.C3H8O3S.Na.H/c1-3-5-4-2;1-2-3-7(4,5)6;;/h3-4H2,1-2H3;2-3H2,1H3,(H,4,5,6);;/q;;+1;-1
InChIKeyZFGWVPBXBBAHOJ-UHFFFAOYSA-N
XLogP-1.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-1.56
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

CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
hydrazine;propane-1-sulfonic acid
CID 159325511
N-ethylethanamine;propane-1-sulfonic acid
CID 159426890
dioxetane;propane-1-sulfonic acid
CID 87756026
oxirane;propane-1-sulfonic acid
CID 161099007
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tris(propane-1-sulfonic acid)
CID 160705274
sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
CID 174952019
5-ethoxypentane-1-sulfonic acid
CID 56995541
disodium;ethoxyethane;sulfate
CID 158792070

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxyethane;hydride;propane-1-sulfonic acid?
The IUPAC name of sodium;ethoxyethane;hydride;propane-1-sulfonic acid (CID 174886586) is sodium;ethoxyethane;hydride;propane-1-sulfonic acid.
What is the SMILES notation for sodium;ethoxyethane;hydride;propane-1-sulfonic acid?
The canonical SMILES for sodium;ethoxyethane;hydride;propane-1-sulfonic acid is CCCS(=O)(=O)O.CCOCC.[H-].[Na+].
What is the InChIKey of sodium;ethoxyethane;hydride;propane-1-sulfonic acid?
The InChIKey is ZFGWVPBXBBAHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O3S.Na.H/c1-3-5-4-2;1-2-3-7(4,5)6;;/h3-4H2,1-2H3;2-3H2,1H3,(H,4,5,6);;/q;;+1;-1.
What are the key properties of sodium;ethoxyethane;hydride;propane-1-sulfonic acid?
sodium;ethoxyethane;hydride;propane-1-sulfonic acid has a molecular weight of 222.28 g/mol, XLogP of -1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxyethane;hydride;propane-1-sulfonic acid is sourced from PubChem (CID 174886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).