4-methylthiophene-2-carboxylic acid

C6H6O2S — CID 2794584

IUPAC4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1
InChIInChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)
InChIKeyYCIVJGQMXZZPAB-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.75
Rot. Bonds1

About 4-methylthiophene-2-carboxylic acid

4-methylthiophene-2-carboxylic acid (PubChem CID 2794584) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methylthiophene-2-carboxylic acid
PubChem CID2794584
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1
InChIInChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)
InChIKeyYCIVJGQMXZZPAB-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-methylthiophene-2-carboxylic acid (CID 2794584) is 4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1.
What is the InChIKey of 4-methylthiophene-2-carboxylic acid?
The InChIKey is YCIVJGQMXZZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8).
What are the key properties of 4-methylthiophene-2-carboxylic acid?
4-methylthiophene-2-carboxylic acid has a molecular weight of 142.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 2794584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).