(4-cyclopentylsulfanylphenyl)boronic acid

C11H15BO2S — CID 23005414

IUPAC(4-cyclopentylsulfanylphenyl)boronic acid
SMILESOB(O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C11H15BO2S/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2
InChIKeyIFVIXXGONOTAIO-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.40
Rot. Bonds3

About (4-cyclopentylsulfanylphenyl)boronic acid

(4-cyclopentylsulfanylphenyl)boronic acid (PubChem CID 23005414) has the molecular formula C11H15BO2S and a molecular weight of 222.12 g/mol. Its IUPAC name is (4-cyclopentylsulfanylphenyl)boronic acid.

Molecular Properties

Compound Name(4-cyclopentylsulfanylphenyl)boronic acid
PubChem CID23005414
Molecular FormulaC11H15BO2S
Molecular Weight222.12 g/mol
Exact Mass222.09
IUPAC Name(4-cyclopentylsulfanylphenyl)boronic acid
SMILESOB(O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C11H15BO2S/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2
InChIKeyIFVIXXGONOTAIO-UHFFFAOYSA-N
XLogP1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 74572
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CID 12144
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CID 13407
CID 13407
CID 123348
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CID 2733959
CID 2733959
CID 2773543
CID 2773543
CID 79180
CID 79180
CID 136905
CID 136905
CID 2734353
CID 2734353
CID 5373102
CID 5373102
CID 76397
CID 76397
CID 87928
CID 87928

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylsulfanylphenyl)boronic acid?
The IUPAC name of (4-cyclopentylsulfanylphenyl)boronic acid (CID 23005414) is (4-cyclopentylsulfanylphenyl)boronic acid.
What is the SMILES notation for (4-cyclopentylsulfanylphenyl)boronic acid?
The canonical SMILES for (4-cyclopentylsulfanylphenyl)boronic acid is OB(O)c1ccc(SC2CCCC2)cc1.
What is the InChIKey of (4-cyclopentylsulfanylphenyl)boronic acid?
The InChIKey is IFVIXXGONOTAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO2S/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2.
What are the key properties of (4-cyclopentylsulfanylphenyl)boronic acid?
(4-cyclopentylsulfanylphenyl)boronic acid has a molecular weight of 222.12 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylsulfanylphenyl)boronic acid is sourced from PubChem (CID 23005414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).