2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone

C14H10BrClOS — CID 43231190

IUPAC2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H10BrClOS/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8H,9H2
InChIKeyPFTGTRKKGRCUQN-UHFFFAOYSA-N
MW341.66 g/mol
LogP5.08
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone

2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone (PubChem CID 43231190) has the molecular formula C14H10BrClOS and a molecular weight of 341.66 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
PubChem CID43231190
Molecular FormulaC14H10BrClOS
Molecular Weight341.66 g/mol
Exact Mass339.93
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
SMILESO=C(CSc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H10BrClOS/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8H,9H2
InChIKeyPFTGTRKKGRCUQN-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.66
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
CID 66144047
1-(2-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)propan-2-one
CID 66143656
2-(2-bromophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
CID 43231185
2-(2-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanone
CID 66143848
2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
CID 43654841
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
2-(2-bromophenyl)sulfanyl-1-(1-methylpyrrol-2-yl)ethanone
CID 43231205
2-(2-bromophenyl)sulfanyl-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 115574602
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one
CID 102617725
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
1-(2-bromophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413718
1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
CID 43801822

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone (CID 43231190) is 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone is O=C(CSc1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone?
The InChIKey is PFTGTRKKGRCUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClOS/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone?
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone has a molecular weight of 341.66 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 43231190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).