1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone

C15H12BrClOS — CID 115569352

IUPAC1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
SMILESO=C(CSCc1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C15H12BrClOS/c16-14-4-2-1-3-13(14)15(18)10-19-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2
InChIKeyKYJZKEGPBUGDAF-UHFFFAOYSA-N
MW355.68 g/mol
LogP5.22
Rot. Bonds5

About 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone

1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone (PubChem CID 115569352) has the molecular formula C15H12BrClOS and a molecular weight of 355.68 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
PubChem CID115569352
Molecular FormulaC15H12BrClOS
Molecular Weight355.68 g/mol
Exact Mass353.95
IUPAC Name1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
SMILESO=C(CSCc1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C15H12BrClOS/c16-14-4-2-1-3-13(14)15(18)10-19-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2
InChIKeyKYJZKEGPBUGDAF-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
2-[(4-chlorophenyl)methylsulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 115569346
1-(2-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412759
2-[(4-chlorophenyl)methylsulfanylmethyl]benzoic acid
CID 82177923
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
1-(2-bromophenyl)-2-(3-methylbutylsulfanyl)ethanone
CID 107752836
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-propylphenyl)ethanone
CID 115569345
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone (CID 115569352) is 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone is O=C(CSCc1ccc(Cl)cc1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone?
The InChIKey is KYJZKEGPBUGDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClOS/c16-14-4-2-1-3-13(14)15(18)10-19-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2.
What are the key properties of 1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone?
1-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone has a molecular weight of 355.68 g/mol, XLogP of 5.22, 5 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-chlorophenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 115569352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).