2-(2-sulfoethoxy)ethanesulfonic acid

C4H10O7S2 — CID 14595653

IUPAC2-(2-sulfoethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCS(=O)(=O)O
InChIInChI=1S/C4H10O7S2/c5-12(6,7)3-1-11-2-4-13(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKeyYXFNFSBQEDFMHR-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.22
Rot. Bonds6

About 2-(2-sulfoethoxy)ethanesulfonic acid

2-(2-sulfoethoxy)ethanesulfonic acid (PubChem CID 14595653) has the molecular formula C4H10O7S2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2-sulfoethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name2-(2-sulfoethoxy)ethanesulfonic acid
PubChem CID14595653
Molecular FormulaC4H10O7S2
Molecular Weight234.25 g/mol
Exact Mass233.99
IUPAC Name2-(2-sulfoethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCS(=O)(=O)O
InChIInChI=1S/C4H10O7S2/c5-12(6,7)3-1-11-2-4-13(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKeyYXFNFSBQEDFMHR-UHFFFAOYSA-N
XLogP-1.22
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
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 2-(2-sulfoethoxy)ethanesulfonic acid?
The IUPAC name of 2-(2-sulfoethoxy)ethanesulfonic acid (CID 14595653) is 2-(2-sulfoethoxy)ethanesulfonic acid.
What is the SMILES notation for 2-(2-sulfoethoxy)ethanesulfonic acid?
The canonical SMILES for 2-(2-sulfoethoxy)ethanesulfonic acid is O=S(=O)(O)CCOCCS(=O)(=O)O.
What is the InChIKey of 2-(2-sulfoethoxy)ethanesulfonic acid?
The InChIKey is YXFNFSBQEDFMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O7S2/c5-12(6,7)3-1-11-2-4-13(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10).
What are the key properties of 2-(2-sulfoethoxy)ethanesulfonic acid?
2-(2-sulfoethoxy)ethanesulfonic acid has a molecular weight of 234.25 g/mol, XLogP of -1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfoethoxy)ethanesulfonic acid is sourced from PubChem (CID 14595653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).