2-thiophen-3-yloxyethanesulfonic acid

C6H8O4S2 — CID 23361602

IUPAC2-thiophen-3-yloxyethanesulfonic acid
SMILESO=S(=O)(O)CCOc1ccsc1
InChIInChI=1S/C6H8O4S2/c7-12(8,9)4-2-10-6-1-3-11-5-6/h1,3,5H,2,4H2,(H,7,8,9)
InChIKeyKFXYJZNYGWBKCC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.01
Rot. Bonds4

About 2-thiophen-3-yloxyethanesulfonic acid

2-thiophen-3-yloxyethanesulfonic acid (PubChem CID 23361602) has the molecular formula C6H8O4S2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-thiophen-3-yloxyethanesulfonic acid.

Molecular Properties

Compound Name2-thiophen-3-yloxyethanesulfonic acid
PubChem CID23361602
Molecular FormulaC6H8O4S2
Molecular Weight208.26 g/mol
Exact Mass207.99
IUPAC Name2-thiophen-3-yloxyethanesulfonic acid
SMILESO=S(=O)(O)CCOc1ccsc1
InChIInChI=1S/C6H8O4S2/c7-12(8,9)4-2-10-6-1-3-11-5-6/h1,3,5H,2,4H2,(H,7,8,9)
InChIKeyKFXYJZNYGWBKCC-UHFFFAOYSA-N
XLogP1.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yloxyethanesulfonic acid?
The IUPAC name of 2-thiophen-3-yloxyethanesulfonic acid (CID 23361602) is 2-thiophen-3-yloxyethanesulfonic acid.
What is the SMILES notation for 2-thiophen-3-yloxyethanesulfonic acid?
The canonical SMILES for 2-thiophen-3-yloxyethanesulfonic acid is O=S(=O)(O)CCOc1ccsc1.
What is the InChIKey of 2-thiophen-3-yloxyethanesulfonic acid?
The InChIKey is KFXYJZNYGWBKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S2/c7-12(8,9)4-2-10-6-1-3-11-5-6/h1,3,5H,2,4H2,(H,7,8,9).
What are the key properties of 2-thiophen-3-yloxyethanesulfonic acid?
2-thiophen-3-yloxyethanesulfonic acid has a molecular weight of 208.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yloxyethanesulfonic acid is sourced from PubChem (CID 23361602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).