5-bromo-6,7-dichloro-1-benzothiophene

C8H3BrCl2S — CID 70337047

IUPAC5-bromo-6,7-dichloro-1-benzothiophene
SMILESClc1c(Br)cc2ccsc2c1Cl
InChIInChI=1S/C8H3BrCl2S/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3H
InChIKeyXFAIRHRZCQJPMK-UHFFFAOYSA-N
MW281.99 g/mol
LogP4.97
Rot. Bonds

About 5-bromo-6,7-dichloro-1-benzothiophene

5-bromo-6,7-dichloro-1-benzothiophene (PubChem CID 70337047) has the molecular formula C8H3BrCl2S and a molecular weight of 281.99 g/mol. Its IUPAC name is 5-bromo-6,7-dichloro-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-6,7-dichloro-1-benzothiophene
PubChem CID70337047
Molecular FormulaC8H3BrCl2S
Molecular Weight281.99 g/mol
Exact Mass279.85
IUPAC Name5-bromo-6,7-dichloro-1-benzothiophene
SMILESClc1c(Br)cc2ccsc2c1Cl
InChIInChI=1S/C8H3BrCl2S/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3H
InChIKeyXFAIRHRZCQJPMK-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.99
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,7-dichloro-1-benzothiophene?
The IUPAC name of 5-bromo-6,7-dichloro-1-benzothiophene (CID 70337047) is 5-bromo-6,7-dichloro-1-benzothiophene.
What is the SMILES notation for 5-bromo-6,7-dichloro-1-benzothiophene?
The canonical SMILES for 5-bromo-6,7-dichloro-1-benzothiophene is Clc1c(Br)cc2ccsc2c1Cl.
What is the InChIKey of 5-bromo-6,7-dichloro-1-benzothiophene?
The InChIKey is XFAIRHRZCQJPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2S/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3H.
What are the key properties of 5-bromo-6,7-dichloro-1-benzothiophene?
5-bromo-6,7-dichloro-1-benzothiophene has a molecular weight of 281.99 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,7-dichloro-1-benzothiophene is sourced from PubChem (CID 70337047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).