2-benzylsulfanyl-1-(4-bromophenyl)ethanone

C15H13BrOS — CID 15314149

IUPAC2-benzylsulfanyl-1-(4-bromophenyl)ethanone
SMILESO=C(CSCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrOS/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyFEZWFPZMWMYFSW-UHFFFAOYSA-N
MW321.24 g/mol
LogP4.57
Rot. Bonds5

About 2-benzylsulfanyl-1-(4-bromophenyl)ethanone

2-benzylsulfanyl-1-(4-bromophenyl)ethanone (PubChem CID 15314149) has the molecular formula C15H13BrOS and a molecular weight of 321.24 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-benzylsulfanyl-1-(4-bromophenyl)ethanone
PubChem CID15314149
Molecular FormulaC15H13BrOS
Molecular Weight321.24 g/mol
Exact Mass319.99
IUPAC Name2-benzylsulfanyl-1-(4-bromophenyl)ethanone
SMILESO=C(CSCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrOS/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyFEZWFPZMWMYFSW-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-benzylsulfanyl-1-(4-bromophenyl)ethanone (CID 15314149) is 2-benzylsulfanyl-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-benzylsulfanyl-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-benzylsulfanyl-1-(4-bromophenyl)ethanone is O=C(CSCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-benzylsulfanyl-1-(4-bromophenyl)ethanone?
The InChIKey is FEZWFPZMWMYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrOS/c16-14-8-6-13(7-9-14)15(17)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-benzylsulfanyl-1-(4-bromophenyl)ethanone?
2-benzylsulfanyl-1-(4-bromophenyl)ethanone has a molecular weight of 321.24 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 15314149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).