1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone

C12H6Br2Cl2OS — CID 114966279

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H6Br2Cl2OS/c13-7-5-11(18-12(7)14)10(17)4-6-8(15)2-1-3-9(6)16/h1-3,5H,4H2
InChIKeyQXDAWUKCPKGHPH-UHFFFAOYSA-N
MW428.96 g/mol
LogP6.01
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone

1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 114966279) has the molecular formula C12H6Br2Cl2OS and a molecular weight of 428.96 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID114966279
Molecular FormulaC12H6Br2Cl2OS
Molecular Weight428.96 g/mol
Exact Mass425.79
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H6Br2Cl2OS/c13-7-5-11(18-12(7)14)10(17)4-6-8(15)2-1-3-9(6)16/h1-3,5H,4H2
InChIKeyQXDAWUKCPKGHPH-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
CID 112655394
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
1-(2,5-dibromophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966304
1-(4,5-dibromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800177
1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
CID 115799108
4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19395542
2-(2-chloro-6-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 65238914
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-methylphenyl)ethanone
CID 80531701

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone (CID 114966279) is 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone is O=C(Cc1c(Cl)cccc1Cl)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is QXDAWUKCPKGHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2Cl2OS/c13-7-5-11(18-12(7)14)10(17)4-6-8(15)2-1-3-9(6)16/h1-3,5H,4H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone?
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 428.96 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 114966279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).