1-bromothieno[2,3-b][1]benzofuran

C₁₀H₅BrOS — CID 156788125

About 1-bromothieno[2,3-b][1]benzofuran

1-bromothieno[2,3-b][1]benzofuran (PubChem CID 156788125) has the molecular formula C₁₀H₅BrOS and a molecular weight of 253.12 g/mol. Its IUPAC name is 1-bromothieno[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1-bromothieno[2,3-b][1]benzofuran
• PubChem CID: 156788125
• Molecular Formula: C₁₀H₅BrOS
• Molecular Weight: 253.12 g/mol
• Exact Mass: 251.92
• IUPAC Name: 1-bromothieno[2,3-b][1]benzofuran
• SMILES: Brc1csc2oc3ccccc3c12
• InChI: InChI=1S/C10H5BrOS/c11-7-5-13-10-9(7)6-3-1-2-4-8(6)12-10/h1-5H
• InChIKey: ANMCJDVJFLFTAX-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 13.14 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.12
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-bromothieno[2,3-b][1]benzofuran?

The IUPAC name of 1-bromothieno[2,3-b][1]benzofuran (CID 156788125) is 1-bromothieno[2,3-b][1]benzofuran.

What is the SMILES notation for 1-bromothieno[2,3-b][1]benzofuran?

The canonical SMILES for 1-bromothieno[2,3-b][1]benzofuran is Brc1csc2oc3ccccc3c12.

What is the InChIKey of 1-bromothieno[2,3-b][1]benzofuran?

The InChIKey is ANMCJDVJFLFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrOS/c11-7-5-13-10-9(7)6-3-1-2-4-8(6)12-10/h1-5H.

What are the key properties of 1-bromothieno[2,3-b][1]benzofuran?

1-bromothieno[2,3-b][1]benzofuran has a molecular weight of 253.12 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromothieno[2,3-b][1]benzofuran is sourced from PubChem (CID 156788125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156788125 — identifiers, structure, computed properties (public domain)

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