1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone

C15H12BrClOS — CID 114268997

IUPAC1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2c(Cl)cccc2Br)c1
InChIInChI=1S/C15H12BrClOS/c1-10-4-2-5-11(8-10)19-9-14(18)15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3
InChIKeyUGOUPBDKRODXPR-UHFFFAOYSA-N
MW355.68 g/mol
LogP5.39
Rot. Bonds4

About 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone

1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone (PubChem CID 114268997) has the molecular formula C15H12BrClOS and a molecular weight of 355.68 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
PubChem CID114268997
Molecular FormulaC15H12BrClOS
Molecular Weight355.68 g/mol
Exact Mass353.95
IUPAC Name1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2c(Cl)cccc2Br)c1
InChIInChI=1S/C15H12BrClOS/c1-10-4-2-5-11(8-10)19-9-14(18)15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3
InChIKeyUGOUPBDKRODXPR-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 63406773
2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 63406943
2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 63406815
2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 60594383
2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 63407740
1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
CID 61243446
1-(3-methylphenyl)sulfanylpent-4-en-2-one
CID 66086575
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 19299752
1-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)sulfanylethanone
CID 47356559
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one
CID 66087741

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone (CID 114268997) is 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone is Cc1cccc(SCC(=O)c2c(Cl)cccc2Br)c1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone?
The InChIKey is UGOUPBDKRODXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClOS/c1-10-4-2-5-11(8-10)19-9-14(18)15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone?
1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone has a molecular weight of 355.68 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone is sourced from PubChem (CID 114268997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).