2-thiophen-3-ylprop-2-enoic acid

C7H6O2S — CID 19604681

IUPAC2-thiophen-3-ylprop-2-enoic acid
SMILESC=C(C(=O)O)c1ccsc1
InChIInChI=1S/C7H6O2S/c1-5(7(8)9)6-2-3-10-4-6/h2-4H,1H2,(H,8,9)
InChIKeyLWKSZBQHSQBVAE-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.85
Rot. Bonds2

About 2-thiophen-3-ylprop-2-enoic acid

2-thiophen-3-ylprop-2-enoic acid (PubChem CID 19604681) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-thiophen-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-thiophen-3-ylprop-2-enoic acid
PubChem CID19604681
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name2-thiophen-3-ylprop-2-enoic acid
SMILESC=C(C(=O)O)c1ccsc1
InChIInChI=1S/C7H6O2S/c1-5(7(8)9)6-2-3-10-4-6/h2-4H,1H2,(H,8,9)
InChIKeyLWKSZBQHSQBVAE-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylprop-2-enoic acid?
The IUPAC name of 2-thiophen-3-ylprop-2-enoic acid (CID 19604681) is 2-thiophen-3-ylprop-2-enoic acid.
What is the SMILES notation for 2-thiophen-3-ylprop-2-enoic acid?
The canonical SMILES for 2-thiophen-3-ylprop-2-enoic acid is C=C(C(=O)O)c1ccsc1.
What is the InChIKey of 2-thiophen-3-ylprop-2-enoic acid?
The InChIKey is LWKSZBQHSQBVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S/c1-5(7(8)9)6-2-3-10-4-6/h2-4H,1H2,(H,8,9).
What are the key properties of 2-thiophen-3-ylprop-2-enoic acid?
2-thiophen-3-ylprop-2-enoic acid has a molecular weight of 154.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylprop-2-enoic acid is sourced from PubChem (CID 19604681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).