5-propylthiophene-2-carboxylic acid

C8H10O2S — CID 3164314

IUPAC5-propylthiophene-2-carboxylic acid
SMILESCCCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H10O2S/c1-2-3-6-4-5-7(11-6)8(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyGIKRNWSWBGWABK-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.40
Rot. Bonds3

About 5-propylthiophene-2-carboxylic acid

5-propylthiophene-2-carboxylic acid (PubChem CID 3164314) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-propylthiophene-2-carboxylic acid
PubChem CID3164314
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name5-propylthiophene-2-carboxylic acid
SMILESCCCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H10O2S/c1-2-3-6-4-5-7(11-6)8(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyGIKRNWSWBGWABK-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propylthiophene-2-carboxylic acid?
The IUPAC name of 5-propylthiophene-2-carboxylic acid (CID 3164314) is 5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 5-propylthiophene-2-carboxylic acid is CCCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-propylthiophene-2-carboxylic acid?
The InChIKey is GIKRNWSWBGWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-3-6-4-5-7(11-6)8(9)10/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 5-propylthiophene-2-carboxylic acid?
5-propylthiophene-2-carboxylic acid has a molecular weight of 170.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 3164314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).