4-bromo-6-chlorodibenzothiophene

C12H6BrClS — CID 54757064

IUPAC4-bromo-6-chlorodibenzothiophene
SMILESClc1cccc2c1sc1c(Br)cccc12
InChIInChI=1S/C12H6BrClS/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
InChIKeyCYQWUOLZRKUHNU-UHFFFAOYSA-N
MW297.60 g/mol
LogP5.47
Rot. Bonds

About 4-bromo-6-chlorodibenzothiophene

4-bromo-6-chlorodibenzothiophene (PubChem CID 54757064) has the molecular formula C12H6BrClS and a molecular weight of 297.60 g/mol. Its IUPAC name is 4-bromo-6-chlorodibenzothiophene.

Molecular Properties

Compound Name4-bromo-6-chlorodibenzothiophene
PubChem CID54757064
Molecular FormulaC12H6BrClS
Molecular Weight297.60 g/mol
Exact Mass295.91
IUPAC Name4-bromo-6-chlorodibenzothiophene
SMILESClc1cccc2c1sc1c(Br)cccc12
InChIInChI=1S/C12H6BrClS/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
InChIKeyCYQWUOLZRKUHNU-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.60
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chlorodibenzothiophene?
The IUPAC name of 4-bromo-6-chlorodibenzothiophene (CID 54757064) is 4-bromo-6-chlorodibenzothiophene.
What is the SMILES notation for 4-bromo-6-chlorodibenzothiophene?
The canonical SMILES for 4-bromo-6-chlorodibenzothiophene is Clc1cccc2c1sc1c(Br)cccc12.
What is the InChIKey of 4-bromo-6-chlorodibenzothiophene?
The InChIKey is CYQWUOLZRKUHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClS/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H.
What are the key properties of 4-bromo-6-chlorodibenzothiophene?
4-bromo-6-chlorodibenzothiophene has a molecular weight of 297.60 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chlorodibenzothiophene is sourced from PubChem (CID 54757064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).