3,6-dibromoselenopheno[3,2-b]thiophene

C6H2Br2SSe — CID 12543639

IUPAC3,6-dibromoselenopheno[3,2-b]thiophene
SMILESBrc1c[se]c2c(Br)csc12
InChIInChI=1S/C6H2Br2SSe/c7-3-1-9-5-4(8)2-10-6(3)5/h1-2H
InChIKeyHYZUGCCNQKBTQU-UHFFFAOYSA-N
MW344.92 g/mol
LogP3.48
Rot. Bonds

About 3,6-dibromoselenopheno[3,2-b]thiophene

3,6-dibromoselenopheno[3,2-b]thiophene (PubChem CID 12543639) has the molecular formula C6H2Br2SSe and a molecular weight of 344.92 g/mol. Its IUPAC name is 3,6-dibromoselenopheno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-dibromoselenopheno[3,2-b]thiophene
PubChem CID12543639
Molecular FormulaC6H2Br2SSe
Molecular Weight344.92 g/mol
Exact Mass343.74
IUPAC Name3,6-dibromoselenopheno[3,2-b]thiophene
SMILESBrc1c[se]c2c(Br)csc12
InChIInChI=1S/C6H2Br2SSe/c7-3-1-9-5-4(8)2-10-6(3)5/h1-2H
InChIKeyHYZUGCCNQKBTQU-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.92
LogP ≤ 53.48
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 3,6-dibromoselenopheno[3,2-b]thiophene?
The IUPAC name of 3,6-dibromoselenopheno[3,2-b]thiophene (CID 12543639) is 3,6-dibromoselenopheno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dibromoselenopheno[3,2-b]thiophene?
The canonical SMILES for 3,6-dibromoselenopheno[3,2-b]thiophene is Brc1c[se]c2c(Br)csc12.
What is the InChIKey of 3,6-dibromoselenopheno[3,2-b]thiophene?
The InChIKey is HYZUGCCNQKBTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2SSe/c7-3-1-9-5-4(8)2-10-6(3)5/h1-2H.
What are the key properties of 3,6-dibromoselenopheno[3,2-b]thiophene?
3,6-dibromoselenopheno[3,2-b]thiophene has a molecular weight of 344.92 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromoselenopheno[3,2-b]thiophene is sourced from PubChem (CID 12543639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).