5-(iodomethyl)thiophene-2-carboxylic acid

C6H5IO2S — CID 89145755

IUPAC5-(iodomethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CI)s1
InChIInChI=1S/C6H5IO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3H2,(H,8,9)
InChIKeyQWNZOFFUVLJSNL-UHFFFAOYSA-N
MW268.08 g/mol
LogP2.38
Rot. Bonds2

About 5-(iodomethyl)thiophene-2-carboxylic acid

5-(iodomethyl)thiophene-2-carboxylic acid (PubChem CID 89145755) has the molecular formula C6H5IO2S and a molecular weight of 268.08 g/mol. Its IUPAC name is 5-(iodomethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(iodomethyl)thiophene-2-carboxylic acid
PubChem CID89145755
Molecular FormulaC6H5IO2S
Molecular Weight268.08 g/mol
Exact Mass267.91
IUPAC Name5-(iodomethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CI)s1
InChIInChI=1S/C6H5IO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3H2,(H,8,9)
InChIKeyQWNZOFFUVLJSNL-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-oxopropyl)thiophene-2-carboxylic acid
CID 58339018
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-(propoxymethyl)thiophene-2-carboxylic acid
CID 63380315
5-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carboxylic acid
CID 63378241
5-(2-methylpropylsulfonylmethyl)thiophene-2-carboxylic acid
CID 63377798
5-[(pent-3-ynylamino)methyl]thiophene-2-carboxylic acid
CID 103266554
5-(butylsulfanylmethyl)thiophene-2-carboxylic acid
CID 63378333
5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophene-2-carboxylic acid
CID 63378316

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(iodomethyl)thiophene-2-carboxylic acid (CID 89145755) is 5-(iodomethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(iodomethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(iodomethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(CI)s1.
What is the InChIKey of 5-(iodomethyl)thiophene-2-carboxylic acid?
The InChIKey is QWNZOFFUVLJSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3H2,(H,8,9).
What are the key properties of 5-(iodomethyl)thiophene-2-carboxylic acid?
5-(iodomethyl)thiophene-2-carboxylic acid has a molecular weight of 268.08 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 89145755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).