2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid

C8H12O5S2 — CID 23361610

IUPAC2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCOc1ccsc1
InChIInChI=1S/C8H12O5S2/c9-15(10,11)6-4-12-2-3-13-8-1-5-14-7-8/h1,5,7H,2-4,6H2,(H,9,10,11)
InChIKeyBVMGFOJHZVBOOJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.03
Rot. Bonds7

About 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid

2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid (PubChem CID 23361610) has the molecular formula C8H12O5S2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid
PubChem CID23361610
Molecular FormulaC8H12O5S2
Molecular Weight252.31 g/mol
Exact Mass252.01
IUPAC Name2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCOc1ccsc1
InChIInChI=1S/C8H12O5S2/c9-15(10,11)6-4-12-2-3-13-8-1-5-14-7-8/h1,5,7H,2-4,6H2,(H,9,10,11)
InChIKeyBVMGFOJHZVBOOJ-UHFFFAOYSA-N
XLogP1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.03
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 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid?
The IUPAC name of 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid (CID 23361610) is 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid.
What is the SMILES notation for 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid?
The canonical SMILES for 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid is O=S(=O)(O)CCOCCOc1ccsc1.
What is the InChIKey of 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid?
The InChIKey is BVMGFOJHZVBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5S2/c9-15(10,11)6-4-12-2-3-13-8-1-5-14-7-8/h1,5,7H,2-4,6H2,(H,9,10,11).
What are the key properties of 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid?
2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid has a molecular weight of 252.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yloxyethoxy)ethanesulfonic acid is sourced from PubChem (CID 23361610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).