2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone

C15H12BrFOS — CID 66055276

IUPAC2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C15H12BrFOS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyILKSRTWUZOUBTG-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.87
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone

2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone (PubChem CID 66055276) has the molecular formula C15H12BrFOS and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone
PubChem CID66055276
Molecular FormulaC15H12BrFOS
Molecular Weight339.23 g/mol
Exact Mass337.98
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C15H12BrFOS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyILKSRTWUZOUBTG-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537
2-(4-bromophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 114725515
1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802208
1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 63406773
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224935
1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 115604643
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 43411730

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone (CID 66055276) is 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone is Cc1ccc(F)c(C(=O)CSc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone?
The InChIKey is ILKSRTWUZOUBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFOS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone?
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone has a molecular weight of 339.23 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 66055276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).