4-bromo-7-chloro-1-benzothiophene

C8H4BrClS — CID 130063059

IUPAC4-bromo-7-chloro-1-benzothiophene
SMILESClc1ccc(Br)c2ccsc12
InChIInChI=1S/C8H4BrClS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H
InChIKeyPFEZKJGYSLPLKY-UHFFFAOYSA-N
MW247.54 g/mol
LogP4.32
Rot. Bonds

About 4-bromo-7-chloro-1-benzothiophene

4-bromo-7-chloro-1-benzothiophene (PubChem CID 130063059) has the molecular formula C8H4BrClS and a molecular weight of 247.54 g/mol. Its IUPAC name is 4-bromo-7-chloro-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-7-chloro-1-benzothiophene
PubChem CID130063059
Molecular FormulaC8H4BrClS
Molecular Weight247.54 g/mol
Exact Mass245.89
IUPAC Name4-bromo-7-chloro-1-benzothiophene
SMILESClc1ccc(Br)c2ccsc12
InChIInChI=1S/C8H4BrClS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H
InChIKeyPFEZKJGYSLPLKY-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-1-benzothiophene?
The IUPAC name of 4-bromo-7-chloro-1-benzothiophene (CID 130063059) is 4-bromo-7-chloro-1-benzothiophene.
What is the SMILES notation for 4-bromo-7-chloro-1-benzothiophene?
The canonical SMILES for 4-bromo-7-chloro-1-benzothiophene is Clc1ccc(Br)c2ccsc12.
What is the InChIKey of 4-bromo-7-chloro-1-benzothiophene?
The InChIKey is PFEZKJGYSLPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H.
What are the key properties of 4-bromo-7-chloro-1-benzothiophene?
4-bromo-7-chloro-1-benzothiophene has a molecular weight of 247.54 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chloro-1-benzothiophene is sourced from PubChem (CID 130063059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).