3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde

C9H8OS2 — CID 2778771

IUPAC3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde
SMILESCc1csc2sc(C=O)c(C)c12
InChIInChI=1S/C9H8OS2/c1-5-4-11-9-8(5)6(2)7(3-10)12-9/h3-4H,1-2H3
InChIKeyWEAXSPMHCXWYPF-UHFFFAOYSA-N
MW196.30 g/mol
LogP3.39
Rot. Bonds1

About 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde

3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde (PubChem CID 2778771) has the molecular formula C9H8OS2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde.

Molecular Properties

Compound Name3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde
PubChem CID2778771
Molecular FormulaC9H8OS2
Molecular Weight196.30 g/mol
Exact Mass196.00
IUPAC Name3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde
SMILESCc1csc2sc(C=O)c(C)c12
InChIInChI=1S/C9H8OS2/c1-5-4-11-9-8(5)6(2)7(3-10)12-9/h3-4H,1-2H3
InChIKeyWEAXSPMHCXWYPF-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde?
The IUPAC name of 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde (CID 2778771) is 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde.
What is the SMILES notation for 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde?
The canonical SMILES for 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde is Cc1csc2sc(C=O)c(C)c12.
What is the InChIKey of 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde?
The InChIKey is WEAXSPMHCXWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS2/c1-5-4-11-9-8(5)6(2)7(3-10)12-9/h3-4H,1-2H3.
What are the key properties of 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde?
3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde has a molecular weight of 196.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde is sourced from PubChem (CID 2778771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).