thieno[2,3-b]thiophene-2,5-dicarbaldehyde

C8H4O2S2 — CID 97046960

IUPACthieno[2,3-b]thiophene-2,5-dicarbaldehyde
SMILESO=Cc1cc2cc(C=O)sc2s1
InChIInChI=1S/C8H4O2S2/c9-3-6-1-5-2-7(4-10)12-8(5)11-6/h1-4H
InChIKeyBYRWPDKQHOEMTA-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.59
Rot. Bonds2

About thieno[2,3-b]thiophene-2,5-dicarbaldehyde

thieno[2,3-b]thiophene-2,5-dicarbaldehyde (PubChem CID 97046960) has the molecular formula C8H4O2S2 and a molecular weight of 196.25 g/mol. Its IUPAC name is thieno[2,3-b]thiophene-2,5-dicarbaldehyde.

Molecular Properties

Compound Namethieno[2,3-b]thiophene-2,5-dicarbaldehyde
PubChem CID97046960
Molecular FormulaC8H4O2S2
Molecular Weight196.25 g/mol
Exact Mass195.97
IUPAC Namethieno[2,3-b]thiophene-2,5-dicarbaldehyde
SMILESO=Cc1cc2cc(C=O)sc2s1
InChIInChI=1S/C8H4O2S2/c9-3-6-1-5-2-7(4-10)12-8(5)11-6/h1-4H
InChIKeyBYRWPDKQHOEMTA-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]thiophene-2,5-dicarbaldehyde?
The IUPAC name of thieno[2,3-b]thiophene-2,5-dicarbaldehyde (CID 97046960) is thieno[2,3-b]thiophene-2,5-dicarbaldehyde.
What is the SMILES notation for thieno[2,3-b]thiophene-2,5-dicarbaldehyde?
The canonical SMILES for thieno[2,3-b]thiophene-2,5-dicarbaldehyde is O=Cc1cc2cc(C=O)sc2s1.
What is the InChIKey of thieno[2,3-b]thiophene-2,5-dicarbaldehyde?
The InChIKey is BYRWPDKQHOEMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O2S2/c9-3-6-1-5-2-7(4-10)12-8(5)11-6/h1-4H.
What are the key properties of thieno[2,3-b]thiophene-2,5-dicarbaldehyde?
thieno[2,3-b]thiophene-2,5-dicarbaldehyde has a molecular weight of 196.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b]thiophene-2,5-dicarbaldehyde is sourced from PubChem (CID 97046960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).