2-(2-hydroxyethoxy)ethanesulfonic acid

C4H10O5S — CID 11344524

IUPAC2-(2-hydroxyethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCO
InChIInChI=1S/C4H10O5S/c5-1-2-9-3-4-10(6,7)8/h5H,1-4H2,(H,6,7,8)
InChIKeyHHOUUNSSXPYWKJ-UHFFFAOYSA-N
MW170.19 g/mol
LogP-1.12
Rot. Bonds5

About 2-(2-hydroxyethoxy)ethanesulfonic acid

2-(2-hydroxyethoxy)ethanesulfonic acid (PubChem CID 11344524) has the molecular formula C4H10O5S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanesulfonic acid
PubChem CID11344524
Molecular FormulaC4H10O5S
Molecular Weight170.19 g/mol
Exact Mass170.02
IUPAC Name2-(2-hydroxyethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCO
InChIInChI=1S/C4H10O5S/c5-1-2-9-3-4-10(6,7)8/h5H,1-4H2,(H,6,7,8)
InChIKeyHHOUUNSSXPYWKJ-UHFFFAOYSA-N
XLogP-1.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2-hydroxyethoxy)ethanesulfonic acid?
The IUPAC name of 2-(2-hydroxyethoxy)ethanesulfonic acid (CID 11344524) is 2-(2-hydroxyethoxy)ethanesulfonic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanesulfonic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanesulfonic acid is O=S(=O)(O)CCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanesulfonic acid?
The InChIKey is HHOUUNSSXPYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S/c5-1-2-9-3-4-10(6,7)8/h5H,1-4H2,(H,6,7,8).
What are the key properties of 2-(2-hydroxyethoxy)ethanesulfonic acid?
2-(2-hydroxyethoxy)ethanesulfonic acid has a molecular weight of 170.19 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanesulfonic acid is sourced from PubChem (CID 11344524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).