2,7-dibromo-3-chloro-1-benzothiophene

C8H3Br2ClS — CID 130883075

IUPAC2,7-dibromo-3-chloro-1-benzothiophene
SMILESClc1c(Br)sc2c(Br)cccc12
InChIInChI=1S/C8H3Br2ClS/c9-5-3-1-2-4-6(11)8(10)12-7(4)5/h1-3H
InChIKeyIHLFMEQBNUPVON-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.08
Rot. Bonds

About 2,7-dibromo-3-chloro-1-benzothiophene

2,7-dibromo-3-chloro-1-benzothiophene (PubChem CID 130883075) has the molecular formula C8H3Br2ClS and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,7-dibromo-3-chloro-1-benzothiophene.

Molecular Properties

Compound Name2,7-dibromo-3-chloro-1-benzothiophene
PubChem CID130883075
Molecular FormulaC8H3Br2ClS
Molecular Weight326.44 g/mol
Exact Mass323.80
IUPAC Name2,7-dibromo-3-chloro-1-benzothiophene
SMILESClc1c(Br)sc2c(Br)cccc12
InChIInChI=1S/C8H3Br2ClS/c9-5-3-1-2-4-6(11)8(10)12-7(4)5/h1-3H
InChIKeyIHLFMEQBNUPVON-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-6-chlorodibenzothiophene
CID 54757064
8-bromo-1-chloro-[1]benzothiolo[2,3-c]pyridine
CID 168745071
7-bromo-2-chloro-1-benzothiophene-3-carbonitrile
CID 131091510
7-bromo-3-(bromomethyl)-1-benzothiophene-2-thiol
CID 131030774
2,3-dibromo-7-chloro-1-benzothiophene
CID 118221624
7-bromo-2-ethyl-1-benzothiophene-3-thiol
CID 130883111
7-bromo-2-(chloromethyl)-1-benzothiophen-3-amine
CID 130866068
7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
CID 130969980
7-bromo-3-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130839726
7-bromo-2-methoxy-3-methyl-1-benzothiophene
CID 130914555
4,7-dibromo-2-chloro-1-benzothiophene
CID 131145781
7-bromo-2-methyl-1-benzothiophene-3-carbonitrile
CID 130792711

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-3-chloro-1-benzothiophene?
The IUPAC name of 2,7-dibromo-3-chloro-1-benzothiophene (CID 130883075) is 2,7-dibromo-3-chloro-1-benzothiophene.
What is the SMILES notation for 2,7-dibromo-3-chloro-1-benzothiophene?
The canonical SMILES for 2,7-dibromo-3-chloro-1-benzothiophene is Clc1c(Br)sc2c(Br)cccc12.
What is the InChIKey of 2,7-dibromo-3-chloro-1-benzothiophene?
The InChIKey is IHLFMEQBNUPVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2ClS/c9-5-3-1-2-4-6(11)8(10)12-7(4)5/h1-3H.
What are the key properties of 2,7-dibromo-3-chloro-1-benzothiophene?
2,7-dibromo-3-chloro-1-benzothiophene has a molecular weight of 326.44 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-3-chloro-1-benzothiophene is sourced from PubChem (CID 130883075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).