1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one

C15H13BrOS — CID 65141916

IUPAC1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrOS/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9H,10-11H2
InChIKeyGRMJOOMIZGUYPX-UHFFFAOYSA-N
MW321.24 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one

1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one (PubChem CID 65141916) has the molecular formula C15H13BrOS and a molecular weight of 321.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one
PubChem CID65141916
Molecular FormulaC15H13BrOS
Molecular Weight321.24 g/mol
Exact Mass319.99
IUPAC Name1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C15H13BrOS/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9H,10-11H2
InChIKeyGRMJOOMIZGUYPX-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)sulfanyl-3-phenylpropan-2-one
CID 62805342
1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
1-(3-bromophenyl)sulfanyl-3-(3,4-dichlorophenyl)propan-2-one
CID 66144514
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
2-(3-bromophenyl)acetamide
CID 11736027
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66065763
1-(3-bromophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-one
CID 66142964
2-(3-bromophenyl)acetate
CID 3608673
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
benzyl 4-(3-bromophenyl)-3-oxobutanoate
CID 11566421
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one (CID 65141916) is 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one is O=C(CSc1ccccc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one?
The InChIKey is GRMJOOMIZGUYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrOS/c16-13-6-4-5-12(9-13)10-14(17)11-18-15-7-2-1-3-8-15/h1-9H,10-11H2.
What are the key properties of 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one?
1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one has a molecular weight of 321.24 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-phenylsulfanylpropan-2-one is sourced from PubChem (CID 65141916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).