1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone

C16H15BrOS — CID 43413718

IUPAC1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(C)c(SCC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrOS/c1-11-7-8-12(2)16(9-11)19-10-15(18)13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3
InChIKeyAJLUINZCEQDVNZ-UHFFFAOYSA-N
MW335.27 g/mol
LogP5.04
Rot. Bonds4

About 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone

1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone (PubChem CID 43413718) has the molecular formula C16H15BrOS and a molecular weight of 335.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
PubChem CID43413718
Molecular FormulaC16H15BrOS
Molecular Weight335.27 g/mol
Exact Mass334.00
IUPAC Name1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(C)c(SCC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrOS/c1-11-7-8-12(2)16(9-11)19-10-15(18)13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3
InChIKeyAJLUINZCEQDVNZ-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.27
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
2-[(2-bromophenyl)methylsulfanyl]-1,4-dimethylbenzene
CID 60626405
2-(2,5-dimethylphenyl)sulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 4223293
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761
[2-(2-bromophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2345743
N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 27801085
1-(2-bromophenyl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224935
1-(2-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412759
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190
1-(2-bromophenyl)-2-(4-tert-butylphenyl)sulfanylethanone
CID 43413563
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone (CID 43413718) is 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone is Cc1ccc(C)c(SCC(=O)c2ccccc2Br)c1.
What is the InChIKey of 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
The InChIKey is AJLUINZCEQDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrOS/c1-11-7-8-12(2)16(9-11)19-10-15(18)13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone?
1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone has a molecular weight of 335.27 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone is sourced from PubChem (CID 43413718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).