methylsulfinyloxy(phenyl)borinic acid

C7H9BO3S — CID 168860148

IUPACmethylsulfinyloxy(phenyl)borinic acid
SMILESCS(=O)OB(O)c1ccccc1
InChIInChI=1S/C7H9BO3S/c1-12(10)11-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyGLNUCGNRXGDTFD-UHFFFAOYSA-N
MW184.03 g/mol
LogP-0.32
Rot. Bonds3

About methylsulfinyloxy(phenyl)borinic acid

methylsulfinyloxy(phenyl)borinic acid (PubChem CID 168860148) has the molecular formula C7H9BO3S and a molecular weight of 184.03 g/mol. Its IUPAC name is methylsulfinyloxy(phenyl)borinic acid.

Molecular Properties

Compound Namemethylsulfinyloxy(phenyl)borinic acid
PubChem CID168860148
Molecular FormulaC7H9BO3S
Molecular Weight184.03 g/mol
Exact Mass184.04
IUPAC Namemethylsulfinyloxy(phenyl)borinic acid
SMILESCS(=O)OB(O)c1ccccc1
InChIInChI=1S/C7H9BO3S/c1-12(10)11-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyGLNUCGNRXGDTFD-UHFFFAOYSA-N
XLogP-0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfinyloxy(phenyl)borinic acid?
The IUPAC name of methylsulfinyloxy(phenyl)borinic acid (CID 168860148) is methylsulfinyloxy(phenyl)borinic acid.
What is the SMILES notation for methylsulfinyloxy(phenyl)borinic acid?
The canonical SMILES for methylsulfinyloxy(phenyl)borinic acid is CS(=O)OB(O)c1ccccc1.
What is the InChIKey of methylsulfinyloxy(phenyl)borinic acid?
The InChIKey is GLNUCGNRXGDTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3S/c1-12(10)11-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3.
What are the key properties of methylsulfinyloxy(phenyl)borinic acid?
methylsulfinyloxy(phenyl)borinic acid has a molecular weight of 184.03 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinyloxy(phenyl)borinic acid is sourced from PubChem (CID 168860148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).