ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate

C10H8O3S2 — CID 125473110

IUPACethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc2csc(C=O)c2s1
InChIInChI=1S/C10H8O3S2/c1-2-13-10(12)7-3-6-5-14-8(4-11)9(6)15-7/h3-5H,2H2,1H3
InChIKeyVOTGTKPUQZZDDB-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.95
Rot. Bonds3

About ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate

ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate (PubChem CID 125473110) has the molecular formula C10H8O3S2 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate
PubChem CID125473110
Molecular FormulaC10H8O3S2
Molecular Weight240.30 g/mol
Exact Mass239.99
IUPAC Nameethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc2csc(C=O)c2s1
InChIInChI=1S/C10H8O3S2/c1-2-13-10(12)7-3-6-5-14-8(4-11)9(6)15-7/h3-5H,2H2,1H3
InChIKeyVOTGTKPUQZZDDB-UHFFFAOYSA-N
XLogP2.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate 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 ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate?
The IUPAC name of ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate (CID 125473110) is ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate?
The canonical SMILES for ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate is CCOC(=O)c1cc2csc(C=O)c2s1.
What is the InChIKey of ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate?
The InChIKey is VOTGTKPUQZZDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S2/c1-2-13-10(12)7-3-6-5-14-8(4-11)9(6)15-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate?
ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate is sourced from PubChem (CID 125473110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).