2-methylthieno[3,2-b]thiophene-5-carbaldehyde

C8H6OS2 — CID 71433182

IUPAC2-methylthieno[3,2-b]thiophene-5-carbaldehyde
SMILESCc1cc2sc(C=O)cc2s1
InChIInChI=1S/C8H6OS2/c1-5-2-7-8(10-5)3-6(4-9)11-7/h2-4H,1H3
InChIKeyKNZIBPUTXXNCKL-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.08
Rot. Bonds1

About 2-methylthieno[3,2-b]thiophene-5-carbaldehyde

2-methylthieno[3,2-b]thiophene-5-carbaldehyde (PubChem CID 71433182) has the molecular formula C8H6OS2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methylthieno[3,2-b]thiophene-5-carbaldehyde.

Molecular Properties

Compound Name2-methylthieno[3,2-b]thiophene-5-carbaldehyde
PubChem CID71433182
Molecular FormulaC8H6OS2
Molecular Weight182.27 g/mol
Exact Mass181.99
IUPAC Name2-methylthieno[3,2-b]thiophene-5-carbaldehyde
SMILESCc1cc2sc(C=O)cc2s1
InChIInChI=1S/C8H6OS2/c1-5-2-7-8(10-5)3-6(4-9)11-7/h2-4H,1H3
InChIKeyKNZIBPUTXXNCKL-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.08
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 2-methylthieno[3,2-b]thiophene-5-carbaldehyde?
The IUPAC name of 2-methylthieno[3,2-b]thiophene-5-carbaldehyde (CID 71433182) is 2-methylthieno[3,2-b]thiophene-5-carbaldehyde.
What is the SMILES notation for 2-methylthieno[3,2-b]thiophene-5-carbaldehyde?
The canonical SMILES for 2-methylthieno[3,2-b]thiophene-5-carbaldehyde is Cc1cc2sc(C=O)cc2s1.
What is the InChIKey of 2-methylthieno[3,2-b]thiophene-5-carbaldehyde?
The InChIKey is KNZIBPUTXXNCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS2/c1-5-2-7-8(10-5)3-6(4-9)11-7/h2-4H,1H3.
What are the key properties of 2-methylthieno[3,2-b]thiophene-5-carbaldehyde?
2-methylthieno[3,2-b]thiophene-5-carbaldehyde has a molecular weight of 182.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthieno[3,2-b]thiophene-5-carbaldehyde is sourced from PubChem (CID 71433182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).