2,6-dibromo-1-benzothiophene

C8H4Br2S — CID 119083288

IUPAC2,6-dibromo-1-benzothiophene
SMILESBrc1ccc2cc(Br)sc2c1
InChIInChI=1S/C8H4Br2S/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-4H
InChIKeyJCFZEEOHSBNFSC-UHFFFAOYSA-N
MW292.00 g/mol
LogP4.43
Rot. Bonds

About 2,6-dibromo-1-benzothiophene

2,6-dibromo-1-benzothiophene (PubChem CID 119083288) has the molecular formula C8H4Br2S and a molecular weight of 292.00 g/mol. Its IUPAC name is 2,6-dibromo-1-benzothiophene.

Molecular Properties

Compound Name2,6-dibromo-1-benzothiophene
PubChem CID119083288
Molecular FormulaC8H4Br2S
Molecular Weight292.00 g/mol
Exact Mass289.84
IUPAC Name2,6-dibromo-1-benzothiophene
SMILESBrc1ccc2cc(Br)sc2c1
InChIInChI=1S/C8H4Br2S/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-4H
InChIKeyJCFZEEOHSBNFSC-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-1-benzothiophene?
The IUPAC name of 2,6-dibromo-1-benzothiophene (CID 119083288) is 2,6-dibromo-1-benzothiophene.
What is the SMILES notation for 2,6-dibromo-1-benzothiophene?
The canonical SMILES for 2,6-dibromo-1-benzothiophene is Brc1ccc2cc(Br)sc2c1.
What is the InChIKey of 2,6-dibromo-1-benzothiophene?
The InChIKey is JCFZEEOHSBNFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2S/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-4H.
What are the key properties of 2,6-dibromo-1-benzothiophene?
2,6-dibromo-1-benzothiophene has a molecular weight of 292.00 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-1-benzothiophene is sourced from PubChem (CID 119083288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).