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

C8H10O2S — CID 63992884

IUPAC2-(3-methylthiophen-2-yl)propanoic acid
SMILESCc1ccsc1C(C)C(=O)O
InChIInChI=1S/C8H10O2S/c1-5-3-4-11-7(5)6(2)8(9)10/h3-4,6H,1-2H3,(H,9,10)
InChIKeyKMFYTBJSQZPFLA-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.24
Rot. Bonds2

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

2-(3-methylthiophen-2-yl)propanoic acid (PubChem CID 63992884) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)propanoic acid
PubChem CID63992884
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-(3-methylthiophen-2-yl)propanoic acid
SMILESCc1ccsc1C(C)C(=O)O
InChIInChI=1S/C8H10O2S/c1-5-3-4-11-7(5)6(2)8(9)10/h3-4,6H,1-2H3,(H,9,10)
InChIKeyKMFYTBJSQZPFLA-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-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 2-(3-methylthiophen-2-yl)propanoic acid?
The IUPAC name of 2-(3-methylthiophen-2-yl)propanoic acid (CID 63992884) is 2-(3-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for 2-(3-methylthiophen-2-yl)propanoic acid is Cc1ccsc1C(C)C(=O)O.
What is the InChIKey of 2-(3-methylthiophen-2-yl)propanoic acid?
The InChIKey is KMFYTBJSQZPFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-5-3-4-11-7(5)6(2)8(9)10/h3-4,6H,1-2H3,(H,9,10).
What are the key properties of 2-(3-methylthiophen-2-yl)propanoic acid?
2-(3-methylthiophen-2-yl)propanoic acid has a molecular weight of 170.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 63992884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).