2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde

C₁₀H₈OS₂ — CID 139035215

About 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde

2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde (PubChem CID 139035215) has the molecular formula C₁₀H₈OS₂ and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde.

Molecular Properties

• Compound Name: 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
• PubChem CID: 139035215
• Molecular Formula: C₁₀H₈OS₂
• Molecular Weight: 208.31 g/mol
• Exact Mass: 208.00
• IUPAC Name: 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
• SMILES: Cc1ccsc1-c1sccc1C=O
• InChI: InChI=1S/C10H8OS2/c1-7-2-4-12-9(7)10-8(6-11)3-5-13-10/h2-6H,1H3
• InChIKey: KSATXNSFMCHTAQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 17.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.31
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?

The IUPAC name of 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde (CID 139035215) is 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde.

What is the SMILES notation for 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?

The canonical SMILES for 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde is Cc1ccsc1-c1sccc1C=O.

What is the InChIKey of 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?

The InChIKey is KSATXNSFMCHTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS2/c1-7-2-4-12-9(7)10-8(6-11)3-5-13-10/h2-6H,1H3.

What are the key properties of 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?

2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde has a molecular weight of 208.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde is sourced from PubChem (CID 139035215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139035215 — identifiers, structure, computed properties (public domain)

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