2-thiophen-2-ylpropanoic acid

C7H8O2S — CID 3016922

IUPAC2-thiophen-2-ylpropanoic acid
SMILESCC(C(=O)O)c1cccs1
InChIInChI=1S/C7H8O2S/c1-5(7(8)9)6-3-2-4-10-6/h2-5H,1H3,(H,8,9)
InChIKeyKTKWUKAYWFMQSO-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.94
Rot. Bonds2

About 2-thiophen-2-ylpropanoic acid

2-thiophen-2-ylpropanoic acid (PubChem CID 3016922) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-thiophen-2-ylpropanoic acid
PubChem CID3016922
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-thiophen-2-ylpropanoic acid
SMILESCC(C(=O)O)c1cccs1
InChIInChI=1S/C7H8O2S/c1-5(7(8)9)6-3-2-4-10-6/h2-5H,1H3,(H,8,9)
InChIKeyKTKWUKAYWFMQSO-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-thiophen-2-ylpropanoic acid (CID 3016922) is 2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-thiophen-2-ylpropanoic acid is CC(C(=O)O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylpropanoic acid?
The InChIKey is KTKWUKAYWFMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5(7(8)9)6-3-2-4-10-6/h2-5H,1H3,(H,8,9).
What are the key properties of 2-thiophen-2-ylpropanoic acid?
2-thiophen-2-ylpropanoic acid has a molecular weight of 156.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 3016922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).