1-(2-cyclobutylsulfanylphenyl)propan-2-one

C13H16OS — CID 84686139

IUPAC1-(2-cyclobutylsulfanylphenyl)propan-2-one
SMILESCC(=O)Cc1ccccc1SC1CCC1
InChIInChI=1S/C13H16OS/c1-10(14)9-11-5-2-3-8-13(11)15-12-6-4-7-12/h2-3,5,8,12H,4,6-7,9H2,1H3
InChIKeyKFSZOTREBFUYPU-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.46
Rot. Bonds4

About 1-(2-cyclobutylsulfanylphenyl)propan-2-one

1-(2-cyclobutylsulfanylphenyl)propan-2-one (PubChem CID 84686139) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2-cyclobutylsulfanylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-cyclobutylsulfanylphenyl)propan-2-one
PubChem CID84686139
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-(2-cyclobutylsulfanylphenyl)propan-2-one
SMILESCC(=O)Cc1ccccc1SC1CCC1
InChIInChI=1S/C13H16OS/c1-10(14)9-11-5-2-3-8-13(11)15-12-6-4-7-12/h2-3,5,8,12H,4,6-7,9H2,1H3
InChIKeyKFSZOTREBFUYPU-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
CID 63813023
(2-cyclohexylsulfanylphenyl) acetate
CID 10514848
ethyl 2-(2-cyclobutylsulfanylphenyl)-2-oxoacetate
CID 117415561
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid
CID 117349355
2-cyclobutylsulfanylbenzaldehyde
CID 84664309
1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 62721722
1-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-2-one
CID 84793683
N-[(2-cyclopropylsulfanylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 57448163
1-[2,3-bis(methylsulfanyl)phenyl]propan-2-one
CID 117325853
[2-(oxan-4-ylsulfanyl)phenyl]methanol
CID 63835548
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylsulfanylphenyl)propan-2-one?
The IUPAC name of 1-(2-cyclobutylsulfanylphenyl)propan-2-one (CID 84686139) is 1-(2-cyclobutylsulfanylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-cyclobutylsulfanylphenyl)propan-2-one?
The canonical SMILES for 1-(2-cyclobutylsulfanylphenyl)propan-2-one is CC(=O)Cc1ccccc1SC1CCC1.
What is the InChIKey of 1-(2-cyclobutylsulfanylphenyl)propan-2-one?
The InChIKey is KFSZOTREBFUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-10(14)9-11-5-2-3-8-13(11)15-12-6-4-7-12/h2-3,5,8,12H,4,6-7,9H2,1H3.
What are the key properties of 1-(2-cyclobutylsulfanylphenyl)propan-2-one?
1-(2-cyclobutylsulfanylphenyl)propan-2-one has a molecular weight of 220.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylsulfanylphenyl)propan-2-one is sourced from PubChem (CID 84686139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).