3-bromo-7-chloro-1-benzothiophene

C8H4BrClS — CID 83668096

IUPAC3-bromo-7-chloro-1-benzothiophene
SMILESClc1cccc2c(Br)csc12
InChIInChI=1S/C8H4BrClS/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H
InChIKeyQOULZEDPDFSRRK-UHFFFAOYSA-N
MW247.54 g/mol
LogP4.32
Rot. Bonds

About 3-bromo-7-chloro-1-benzothiophene

3-bromo-7-chloro-1-benzothiophene (PubChem CID 83668096) has the molecular formula C8H4BrClS and a molecular weight of 247.54 g/mol. Its IUPAC name is 3-bromo-7-chloro-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-7-chloro-1-benzothiophene
PubChem CID83668096
Molecular FormulaC8H4BrClS
Molecular Weight247.54 g/mol
Exact Mass245.89
IUPAC Name3-bromo-7-chloro-1-benzothiophene
SMILESClc1cccc2c(Br)csc12
InChIInChI=1S/C8H4BrClS/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H
InChIKeyQOULZEDPDFSRRK-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 3-bromo-7-chloro-1-benzothiophene?
The IUPAC name of 3-bromo-7-chloro-1-benzothiophene (CID 83668096) is 3-bromo-7-chloro-1-benzothiophene.
What is the SMILES notation for 3-bromo-7-chloro-1-benzothiophene?
The canonical SMILES for 3-bromo-7-chloro-1-benzothiophene is Clc1cccc2c(Br)csc12.
What is the InChIKey of 3-bromo-7-chloro-1-benzothiophene?
The InChIKey is QOULZEDPDFSRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClS/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H.
What are the key properties of 3-bromo-7-chloro-1-benzothiophene?
3-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 3-bromo-7-chloro-1-benzothiophene is sourced from PubChem (CID 83668096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).