5-iodo-2-thiophen-2-ylbenzoic acid

C11H7IO2S — CID 10087991

IUPAC5-iodo-2-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1cc(I)ccc1-c1cccs1
InChIInChI=1S/C11H7IO2S/c12-7-3-4-8(9(6-7)11(13)14)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeySBFNQTOBRYKGIQ-UHFFFAOYSA-N
MW330.15 g/mol
LogP3.72
Rot. Bonds2

About 5-iodo-2-thiophen-2-ylbenzoic acid

5-iodo-2-thiophen-2-ylbenzoic acid (PubChem CID 10087991) has the molecular formula C11H7IO2S and a molecular weight of 330.15 g/mol. Its IUPAC name is 5-iodo-2-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name5-iodo-2-thiophen-2-ylbenzoic acid
PubChem CID10087991
Molecular FormulaC11H7IO2S
Molecular Weight330.15 g/mol
Exact Mass329.92
IUPAC Name5-iodo-2-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1cc(I)ccc1-c1cccs1
InChIInChI=1S/C11H7IO2S/c12-7-3-4-8(9(6-7)11(13)14)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeySBFNQTOBRYKGIQ-UHFFFAOYSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-thiophen-2-ylbenzoic acid?
The IUPAC name of 5-iodo-2-thiophen-2-ylbenzoic acid (CID 10087991) is 5-iodo-2-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 5-iodo-2-thiophen-2-ylbenzoic acid?
The canonical SMILES for 5-iodo-2-thiophen-2-ylbenzoic acid is O=C(O)c1cc(I)ccc1-c1cccs1.
What is the InChIKey of 5-iodo-2-thiophen-2-ylbenzoic acid?
The InChIKey is SBFNQTOBRYKGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IO2S/c12-7-3-4-8(9(6-7)11(13)14)10-2-1-5-15-10/h1-6H,(H,13,14).
What are the key properties of 5-iodo-2-thiophen-2-ylbenzoic acid?
5-iodo-2-thiophen-2-ylbenzoic acid has a molecular weight of 330.15 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 10087991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).