1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone

C12H8Br2OS — CID 62621383

IUPAC1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1ccccc1Br
InChIInChI=1S/C12H8Br2OS/c13-8-5-9(16-7-8)6-12(15)10-3-1-2-4-11(10)14/h1-5,7H,6H2
InChIKeyWEKJDDJVKNVCEE-UHFFFAOYSA-N
MW360.07 g/mol
LogP4.70
Rot. Bonds3

About 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone

1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone (PubChem CID 62621383) has the molecular formula C12H8Br2OS and a molecular weight of 360.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
PubChem CID62621383
Molecular FormulaC12H8Br2OS
Molecular Weight360.07 g/mol
Exact Mass357.87
IUPAC Name1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1ccccc1Br
InChIInChI=1S/C12H8Br2OS/c13-8-5-9(16-7-8)6-12(15)10-3-1-2-4-11(10)14/h1-5,7H,6H2
InChIKeyWEKJDDJVKNVCEE-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-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969425
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanone
CID 63409337
2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969477
2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877646
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 55972093

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone (CID 62621383) is 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone is O=C(Cc1cc(Br)cs1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone?
The InChIKey is WEKJDDJVKNVCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2OS/c13-8-5-9(16-7-8)6-12(15)10-3-1-2-4-11(10)14/h1-5,7H,6H2.
What are the key properties of 1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone?
1-(2-bromophenyl)-2-(4-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-(4-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 62621383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).