2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene

C6Br4SSe — CID 12543638

IUPAC2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene
SMILESBrc1sc2c(Br)c(Br)[se]c2c1Br
InChIInChI=1S/C6Br4SSe/c7-1-3-4(12-6(1)10)2(8)5(9)11-3
InChIKeyZPJQMBHYUIJVAS-UHFFFAOYSA-N
MW502.71 g/mol
LogP5.01
Rot. Bonds

About 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene

2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene (PubChem CID 12543638) has the molecular formula C6Br4SSe and a molecular weight of 502.71 g/mol. Its IUPAC name is 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene.

Molecular Properties

Compound Name2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene
PubChem CID12543638
Molecular FormulaC6Br4SSe
Molecular Weight502.71 g/mol
Exact Mass499.56
IUPAC Name2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene
SMILESBrc1sc2c(Br)c(Br)[se]c2c1Br
InChIInChI=1S/C6Br4SSe/c7-1-3-4(12-6(1)10)2(8)5(9)11-3
InChIKeyZPJQMBHYUIJVAS-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 55.01
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 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene?
The IUPAC name of 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene (CID 12543638) is 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene.
What is the SMILES notation for 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene?
The canonical SMILES for 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene is Brc1sc2c(Br)c(Br)[se]c2c1Br.
What is the InChIKey of 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene?
The InChIKey is ZPJQMBHYUIJVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br4SSe/c7-1-3-4(12-6(1)10)2(8)5(9)11-3.
What are the key properties of 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene?
2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene has a molecular weight of 502.71 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrabromoselenopheno[3,2-b]thiophene is sourced from PubChem (CID 12543638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).