2,5-dibromo-1-benzothiophene

C8H4Br2S — CID 626162

IUPAC2,5-dibromo-1-benzothiophene
SMILESBrc1ccc2sc(Br)cc2c1
InChIInChI=1S/C8H4Br2S/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H
InChIKeyJCHZJOMEFKCNLK-UHFFFAOYSA-N
MW292.00 g/mol
LogP4.43
Rot. Bonds

About 2,5-dibromo-1-benzothiophene

2,5-dibromo-1-benzothiophene (PubChem CID 626162) has the molecular formula C8H4Br2S and a molecular weight of 292.00 g/mol. Its IUPAC name is 2,5-dibromo-1-benzothiophene.

Molecular Properties

Compound Name2,5-dibromo-1-benzothiophene
PubChem CID626162
Molecular FormulaC8H4Br2S
Molecular Weight292.00 g/mol
Exact Mass289.84
IUPAC Name2,5-dibromo-1-benzothiophene
SMILESBrc1ccc2sc(Br)cc2c1
InChIInChI=1S/C8H4Br2S/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H
InChIKeyJCHZJOMEFKCNLK-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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Related Compounds

5-Bromobenzo(b)thiophene-2-boronic acid
CID 23005355
5-Bromo-1-benzothiophene
CID 2776578
2-Bromobenzo(b)thiophene
CID 94786
2,3-Dibromo-1-benzothiophene
CID 94977
2-Bromodibenzothiophene
CID 299508
4-Bromodibenzothiophene
CID 458352
4-Bromobenzo[b]thiophene
CID 12094208
3-Bromo-2-methyl-1-benzothiophene
CID 821864
Benzo(b)thiophene, 3-bromo-
CID 123250
2,8-Dibromodibenzothiophene
CID 631120
3-Bromodibenzo(b,d)thiophene
CID 13415616
5-Bromo-2-methyl-1-benzothiophene
CID 13663035

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-benzothiophene?
The IUPAC name of 2,5-dibromo-1-benzothiophene (CID 626162) is 2,5-dibromo-1-benzothiophene.
What is the SMILES notation for 2,5-dibromo-1-benzothiophene?
The canonical SMILES for 2,5-dibromo-1-benzothiophene is Brc1ccc2sc(Br)cc2c1.
What is the InChIKey of 2,5-dibromo-1-benzothiophene?
The InChIKey is JCHZJOMEFKCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2S/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H.
What are the key properties of 2,5-dibromo-1-benzothiophene?
2,5-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 2,5-dibromo-1-benzothiophene is sourced from PubChem (CID 626162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).