2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone

C12H7Br3OS — CID 114967419

IUPAC2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H7Br3OS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5H,6H2
InChIKeyYBYJPHCDWRURLL-UHFFFAOYSA-N
MW438.97 g/mol
LogP5.46
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone (PubChem CID 114967419) has the molecular formula C12H7Br3OS and a molecular weight of 438.97 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
PubChem CID114967419
Molecular FormulaC12H7Br3OS
Molecular Weight438.97 g/mol
Exact Mass435.78
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H7Br3OS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5H,6H2
InChIKeyYBYJPHCDWRURLL-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.97
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62622151
1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 82809288
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 107944362
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114967385
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966304
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone (CID 114967419) is 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone is O=C(Cc1ccc(Br)s1)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone?
The InChIKey is YBYJPHCDWRURLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3OS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5H,6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone has a molecular weight of 438.97 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone is sourced from PubChem (CID 114967419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).