1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone

C15H13BrOS — CID 63406773

IUPAC1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrOS/c1-11-3-2-4-14(9-11)18-10-15(17)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3
InChIKeyXLRQKTBGVFWZOQ-UHFFFAOYSA-N
MW321.24 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone

1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone (PubChem CID 63406773) has the molecular formula C15H13BrOS and a molecular weight of 321.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
PubChem CID63406773
Molecular FormulaC15H13BrOS
Molecular Weight321.24 g/mol
Exact Mass319.99
IUPAC Name1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
SMILESCc1cccc(SCC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrOS/c1-11-3-2-4-14(9-11)18-10-15(17)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3
InChIKeyXLRQKTBGVFWZOQ-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 63407740
2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 63406815
1-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)sulfanylethanone
CID 47356559
1-(4-bromophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1021740
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435
1-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880273
1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 114268997
2-(4-bromophenyl)sulfanyl-1-(4-tert-butylphenyl)ethanone
CID 60624851
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone (CID 63406773) is 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone is Cc1cccc(SCC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone?
The InChIKey is XLRQKTBGVFWZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrOS/c1-11-3-2-4-14(9-11)18-10-15(17)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone?
1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone has a molecular weight of 321.24 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone is sourced from PubChem (CID 63406773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).