sodium 2-(2-hydroxyethoxy)ethanesulfonate

C4H9NaO5S — CID 23665766

IUPACsodium 2-(2-hydroxyethoxy)ethanesulfonate
SMILESO=S(=O)([O-])CCOCCO.[Na+]
InChIInChI=1S/C4H10O5S.Na/c5-1-2-9-3-4-10(6,7)8;/h5H,1-4H2,(H,6,7,8);/q;+1/p-1
InChIKeySZINDZNWFLBXKV-UHFFFAOYSA-M
MW192.17 g/mol
LogP-4.46
Rot. Bonds5

About sodium 2-(2-hydroxyethoxy)ethanesulfonate

sodium 2-(2-hydroxyethoxy)ethanesulfonate (PubChem CID 23665766) has the molecular formula C4H9NaO5S and a molecular weight of 192.17 g/mol. Its IUPAC name is sodium 2-(2-hydroxyethoxy)ethanesulfonate.

Molecular Properties

Compound Namesodium 2-(2-hydroxyethoxy)ethanesulfonate
PubChem CID23665766
Molecular FormulaC4H9NaO5S
Molecular Weight192.17 g/mol
Exact Mass192.01
IUPAC Namesodium 2-(2-hydroxyethoxy)ethanesulfonate
SMILESO=S(=O)([O-])CCOCCO.[Na+]
InChIInChI=1S/C4H10O5S.Na/c5-1-2-9-3-4-10(6,7)8;/h5H,1-4H2,(H,6,7,8);/q;+1/p-1
InChIKeySZINDZNWFLBXKV-UHFFFAOYSA-M
XLogP-4.46
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-4.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydroxyethoxy)ethanesulfonate?
The IUPAC name of sodium 2-(2-hydroxyethoxy)ethanesulfonate (CID 23665766) is sodium 2-(2-hydroxyethoxy)ethanesulfonate.
What is the SMILES notation for sodium 2-(2-hydroxyethoxy)ethanesulfonate?
The canonical SMILES for sodium 2-(2-hydroxyethoxy)ethanesulfonate is O=S(=O)([O-])CCOCCO.[Na+].
What is the InChIKey of sodium 2-(2-hydroxyethoxy)ethanesulfonate?
The InChIKey is SZINDZNWFLBXKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O5S.Na/c5-1-2-9-3-4-10(6,7)8;/h5H,1-4H2,(H,6,7,8);/q;+1/p-1.
What are the key properties of sodium 2-(2-hydroxyethoxy)ethanesulfonate?
sodium 2-(2-hydroxyethoxy)ethanesulfonate has a molecular weight of 192.17 g/mol, XLogP of -4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-hydroxyethoxy)ethanesulfonate is sourced from PubChem (CID 23665766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).