2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone

C15H13BrOS — CID 63407740

IUPAC2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2cccc(Br)c2)cc1
InChIInChI=1S/C15H13BrOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-9H,10H2,1H3
InChIKeyRDJYRSSHAFJZPV-UHFFFAOYSA-N
MW321.24 g/mol
LogP4.73
Rot. Bonds4

About 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone

2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone (PubChem CID 63407740) has the molecular formula C15H13BrOS and a molecular weight of 321.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
PubChem CID63407740
Molecular FormulaC15H13BrOS
Molecular Weight321.24 g/mol
Exact Mass319.99
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2cccc(Br)c2)cc1
InChIInChI=1S/C15H13BrOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-9H,10H2,1H3
InChIKeyRDJYRSSHAFJZPV-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

1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 63406773
2-(3-bromophenyl)sulfanyl-1-pyrimidin-5-ylethanone
CID 66144723
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 63406815
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
2-(3-bromophenyl)sulfanyl-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 63407913
2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanone
CID 66144131
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
4-(3-bromophenyl)sulfanyl-1-phenylbutan-1-one
CID 63407535
1-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880273
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone (CID 63407740) is 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CSc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone?
The InChIKey is RDJYRSSHAFJZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-9H,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone?
2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone 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 2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 63407740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).