2-bromoselenopheno[3,2-b]thiophene

C6H3BrSSe — CID 23272125

IUPAC2-bromoselenopheno[3,2-b]thiophene
SMILESBrc1cc2[se]ccc2s1
InChIInChI=1S/C6H3BrSSe/c7-6-3-5-4(8-6)1-2-9-5/h1-3H
InChIKeyMAWIPYKJMMTGGU-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.72
Rot. Bonds

About 2-bromoselenopheno[3,2-b]thiophene

2-bromoselenopheno[3,2-b]thiophene (PubChem CID 23272125) has the molecular formula C6H3BrSSe and a molecular weight of 266.02 g/mol. Its IUPAC name is 2-bromoselenopheno[3,2-b]thiophene.

Molecular Properties

Compound Name2-bromoselenopheno[3,2-b]thiophene
PubChem CID23272125
Molecular FormulaC6H3BrSSe
Molecular Weight266.02 g/mol
Exact Mass265.83
IUPAC Name2-bromoselenopheno[3,2-b]thiophene
SMILESBrc1cc2[se]ccc2s1
InChIInChI=1S/C6H3BrSSe/c7-6-3-5-4(8-6)1-2-9-5/h1-3H
InChIKeyMAWIPYKJMMTGGU-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromoselenopheno[3,2-b]thiophene?
The IUPAC name of 2-bromoselenopheno[3,2-b]thiophene (CID 23272125) is 2-bromoselenopheno[3,2-b]thiophene.
What is the SMILES notation for 2-bromoselenopheno[3,2-b]thiophene?
The canonical SMILES for 2-bromoselenopheno[3,2-b]thiophene is Brc1cc2[se]ccc2s1.
What is the InChIKey of 2-bromoselenopheno[3,2-b]thiophene?
The InChIKey is MAWIPYKJMMTGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrSSe/c7-6-3-5-4(8-6)1-2-9-5/h1-3H.
What are the key properties of 2-bromoselenopheno[3,2-b]thiophene?
2-bromoselenopheno[3,2-b]thiophene has a molecular weight of 266.02 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoselenopheno[3,2-b]thiophene is sourced from PubChem (CID 23272125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).