dibenzothiophen-4-ylboronic acid

C12H9BO2S — CID 2734329

IUPACdibenzothiophen-4-ylboronic acid
SMILESOB(O)c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
InChIKeyGOXNHPQCCUVWRO-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.73
Rot. Bonds1

About dibenzothiophen-4-ylboronic acid

dibenzothiophen-4-ylboronic acid (PubChem CID 2734329) has the molecular formula C12H9BO2S and a molecular weight of 228.08 g/mol. Its IUPAC name is dibenzothiophen-4-ylboronic acid.

Molecular Properties

Compound Namedibenzothiophen-4-ylboronic acid
PubChem CID2734329
Molecular FormulaC12H9BO2S
Molecular Weight228.08 g/mol
Exact Mass228.04
IUPAC Namedibenzothiophen-4-ylboronic acid
SMILESOB(O)c1cccc2c1sc1ccccc12
InChIInChI=1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
InChIKeyGOXNHPQCCUVWRO-UHFFFAOYSA-N
XLogP1.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.73
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

Dibenzothiophene
CID 3023
Benzo(B)Thiophene-2-Boronic Acid
CID 2359
(1-Benzothiophen-3-yl)boronic acid
CID 2776344
5-Methylbenzo[b]thiophene-2-boronic acid
CID 2794641
4,6-Dimethyldibenzothiophene
CID 71012
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
4-Iododibenzothiophene
CID 458353
2-Methyl-dibenzothiophene
CID 35700
Benzo(b)thiophene, 2,7-dimethyl-
CID 85502
4-Methyldibenzothiophene
CID 30364
Dibenzothiophene-2-boronic Acid
CID 2794660

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-ylboronic acid?
The IUPAC name of dibenzothiophen-4-ylboronic acid (CID 2734329) is dibenzothiophen-4-ylboronic acid.
What is the SMILES notation for dibenzothiophen-4-ylboronic acid?
The canonical SMILES for dibenzothiophen-4-ylboronic acid is OB(O)c1cccc2c1sc1ccccc12.
What is the InChIKey of dibenzothiophen-4-ylboronic acid?
The InChIKey is GOXNHPQCCUVWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H.
What are the key properties of dibenzothiophen-4-ylboronic acid?
dibenzothiophen-4-ylboronic acid has a molecular weight of 228.08 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-4-ylboronic acid is sourced from PubChem (CID 2734329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).