3-(4-methylthiophen-2-yl)propanoic acid

C8H10O2S — CID 19938688

IUPAC3-(4-methylthiophen-2-yl)propanoic acid
SMILESCc1csc(CCC(=O)O)c1
InChIInChI=1S/C8H10O2S/c1-6-4-7(11-5-6)2-3-8(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyCEECDTJIITUVQF-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.07
Rot. Bonds3

About 3-(4-methylthiophen-2-yl)propanoic acid

3-(4-methylthiophen-2-yl)propanoic acid (PubChem CID 19938688) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-(4-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methylthiophen-2-yl)propanoic acid
PubChem CID19938688
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name3-(4-methylthiophen-2-yl)propanoic acid
SMILESCc1csc(CCC(=O)O)c1
InChIInChI=1S/C8H10O2S/c1-6-4-7(11-5-6)2-3-8(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyCEECDTJIITUVQF-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylthiophen-2-yl)propanoic 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 3-(4-methylthiophen-2-yl)propanoic acid?
The IUPAC name of 3-(4-methylthiophen-2-yl)propanoic acid (CID 19938688) is 3-(4-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for 3-(4-methylthiophen-2-yl)propanoic acid is Cc1csc(CCC(=O)O)c1.
What is the InChIKey of 3-(4-methylthiophen-2-yl)propanoic acid?
The InChIKey is CEECDTJIITUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6-4-7(11-5-6)2-3-8(9)10/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-(4-methylthiophen-2-yl)propanoic acid?
3-(4-methylthiophen-2-yl)propanoic acid has a molecular weight of 170.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 19938688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).