(Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid

C9H10O3S — CID 16724470

IUPAC(Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid
SMILESCCO/C(=C\c1ccsc1)C(=O)O
InChIInChI=1S/C9H10O3S/c1-2-12-8(9(10)11)5-7-3-4-13-6-7/h3-6H,2H2,1H3,(H,10,11)/b8-5-
InChIKeyDFIQMXBOMCDOGB-YVMONPNESA-N
MW198.24 g/mol
LogP2.21
Rot. Bonds4

About (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid

(Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid (PubChem CID 16724470) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid
PubChem CID16724470
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name(Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid
SMILESCCO/C(=C\c1ccsc1)C(=O)O
InChIInChI=1S/C9H10O3S/c1-2-12-8(9(10)11)5-7-3-4-13-6-7/h3-6H,2H2,1H3,(H,10,11)/b8-5-
InChIKeyDFIQMXBOMCDOGB-YVMONPNESA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic 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 (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid (CID 16724470) is (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid is CCO/C(=C\c1ccsc1)C(=O)O.
What is the InChIKey of (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid?
The InChIKey is DFIQMXBOMCDOGB-YVMONPNESA-N. The full InChI is InChI=1S/C9H10O3S/c1-2-12-8(9(10)11)5-7-3-4-13-6-7/h3-6H,2H2,1H3,(H,10,11)/b8-5-.
What are the key properties of (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid?
(Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid has a molecular weight of 198.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-3-thiophen-3-ylprop-2-enoic acid is sourced from PubChem (CID 16724470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).