thiophene-2-carbonyl thiophene-2-carboxylate

C10H6O3S2 — CID 3680768

IUPACthiophene-2-carbonyl thiophene-2-carboxylate
SMILESO=C(OC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C10H6O3S2/c11-9(7-3-1-5-14-7)13-10(12)8-4-2-6-15-8/h1-6H
InChIKeyBKBCDDYQJQGMNX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.81
Rot. Bonds2

About thiophene-2-carbonyl thiophene-2-carboxylate

thiophene-2-carbonyl thiophene-2-carboxylate (PubChem CID 3680768) has the molecular formula C10H6O3S2 and a molecular weight of 238.29 g/mol. Its IUPAC name is thiophene-2-carbonyl thiophene-2-carboxylate.

Molecular Properties

Compound Namethiophene-2-carbonyl thiophene-2-carboxylate
PubChem CID3680768
Molecular FormulaC10H6O3S2
Molecular Weight238.29 g/mol
Exact Mass237.98
IUPAC Namethiophene-2-carbonyl thiophene-2-carboxylate
SMILESO=C(OC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C10H6O3S2/c11-9(7-3-1-5-14-7)13-10(12)8-4-2-6-15-8/h1-6H
InChIKeyBKBCDDYQJQGMNX-UHFFFAOYSA-N
XLogP2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze thiophene-2-carbonyl 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 thiophene-2-carbonyl thiophene-2-carboxylate?
The IUPAC name of thiophene-2-carbonyl thiophene-2-carboxylate (CID 3680768) is thiophene-2-carbonyl thiophene-2-carboxylate.
What is the SMILES notation for thiophene-2-carbonyl thiophene-2-carboxylate?
The canonical SMILES for thiophene-2-carbonyl thiophene-2-carboxylate is O=C(OC(=O)c1cccs1)c1cccs1.
What is the InChIKey of thiophene-2-carbonyl thiophene-2-carboxylate?
The InChIKey is BKBCDDYQJQGMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3S2/c11-9(7-3-1-5-14-7)13-10(12)8-4-2-6-15-8/h1-6H.
What are the key properties of thiophene-2-carbonyl thiophene-2-carboxylate?
thiophene-2-carbonyl thiophene-2-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbonyl thiophene-2-carboxylate is sourced from PubChem (CID 3680768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).