1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone

C12H8Br2OS — CID 62620833

IUPAC1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1ccccc1Br
InChIInChI=1S/C12H8Br2OS/c13-10-4-2-1-3-9(10)11(15)7-8-5-6-12(14)16-8/h1-6H,7H2
InChIKeyDCWHZPWNSYKSOE-UHFFFAOYSA-N
MW360.07 g/mol
LogP4.70
Rot. Bonds3

About 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone

1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone (PubChem CID 62620833) has the molecular formula C12H8Br2OS and a molecular weight of 360.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
PubChem CID62620833
Molecular FormulaC12H8Br2OS
Molecular Weight360.07 g/mol
Exact Mass357.87
IUPAC Name1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1ccccc1Br
InChIInChI=1S/C12H8Br2OS/c13-10-4-2-1-3-9(10)11(15)7-8-5-6-12(14)16-8/h1-6H,7H2
InChIKeyDCWHZPWNSYKSOE-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.07
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
CID 114967419
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
CID 113330338
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105088823
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62622151
1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967563

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone (CID 62620833) is 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone is O=C(Cc1ccc(Br)s1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The InChIKey is DCWHZPWNSYKSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2OS/c13-10-4-2-1-3-9(10)11(15)7-8-5-6-12(14)16-8/h1-6H,7H2.
What are the key properties of 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone?
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone has a molecular weight of 360.07 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 62620833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).