1-(3-bromophenyl)-2-phenylsulfanylethanone

C14H11BrOS — CID 43413344

IUPAC1-(3-bromophenyl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrOS/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyDCUZPBAZHJHESC-UHFFFAOYSA-N
MW307.21 g/mol
LogP4.42
Rot. Bonds4

About 1-(3-bromophenyl)-2-phenylsulfanylethanone

1-(3-bromophenyl)-2-phenylsulfanylethanone (PubChem CID 43413344) has the molecular formula C14H11BrOS and a molecular weight of 307.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-phenylsulfanylethanone
PubChem CID43413344
Molecular FormulaC14H11BrOS
Molecular Weight307.21 g/mol
Exact Mass305.97
IUPAC Name1-(3-bromophenyl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrOS/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyDCUZPBAZHJHESC-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
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2-(3-bromophenyl)sulfanyl-1-pyrimidin-5-ylethanone
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1-(3,4-dihydroxyphenyl)-2-phenylsulfanylethanone
CID 43218398
1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one
CID 65141916
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
1-(3-bromophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
CID 43219961
1-(3-bromophenyl)-2-tert-butylsulfanylethanone
CID 43218967
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
4-(3-bromophenyl)sulfanyl-1-phenylbutan-1-one
CID 63407535
1-(3-bromophenyl)sulfanyl-3-phenylpropan-2-one
CID 62805342
1-(3-bromophenyl)-2-iodoethanone
CID 22380807

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-phenylsulfanylethanone (CID 43413344) is 1-(3-bromophenyl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-phenylsulfanylethanone?
The InChIKey is DCUZPBAZHJHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrOS/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-9H,10H2.
What are the key properties of 1-(3-bromophenyl)-2-phenylsulfanylethanone?
1-(3-bromophenyl)-2-phenylsulfanylethanone has a molecular weight of 307.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-phenylsulfanylethanone is sourced from PubChem (CID 43413344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).