sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride

C4H10ClNaO4S — CID 173418505

IUPACsodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride
SMILESO=S(=O)(O)CCOCCCl.[H-].[Na+]
InChIInChI=1S/C4H9ClO4S.Na.H/c5-1-2-9-3-4-10(6,7)8;;/h1-4H2,(H,6,7,8);;/q;+1;-1
InChIKeyZSBIGCFGQKHYHK-UHFFFAOYSA-N
MW212.63 g/mol
LogP-2.75
Rot. Bonds5

About sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride

sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride (PubChem CID 173418505) has the molecular formula C4H10ClNaO4S and a molecular weight of 212.63 g/mol. Its IUPAC name is sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride
PubChem CID173418505
Molecular FormulaC4H10ClNaO4S
Molecular Weight212.63 g/mol
Exact Mass211.99
IUPAC Namesodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride
SMILESO=S(=O)(O)CCOCCCl.[H-].[Na+]
InChIInChI=1S/C4H9ClO4S.Na.H/c5-1-2-9-3-4-10(6,7)8;;/h1-4H2,(H,6,7,8);;/q;+1;-1
InChIKeyZSBIGCFGQKHYHK-UHFFFAOYSA-N
XLogP-2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 5-2.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride?
The IUPAC name of sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride (CID 173418505) is sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride.
What is the SMILES notation for sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride?
The canonical SMILES for sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride is O=S(=O)(O)CCOCCCl.[H-].[Na+].
What is the InChIKey of sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride?
The InChIKey is ZSBIGCFGQKHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO4S.Na.H/c5-1-2-9-3-4-10(6,7)8;;/h1-4H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride?
sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride has a molecular weight of 212.63 g/mol, XLogP of -2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2-chloroethoxy)ethanesulfonic acid;hydride is sourced from PubChem (CID 173418505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).