(8-boronodibenzothiophen-2-yl)boronic acid

C12H10B2O4S — CID 2792628

IUPAC(8-boronodibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3ccc(B(O)O)cc3c2c1
InChIInChI=1S/C12H10B2O4S/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6,15-18H
InChIKeyZRFLHPYMEWINRJ-UHFFFAOYSA-N
MW271.90 g/mol
LogP-0.59
Rot. Bonds2

About (8-boronodibenzothiophen-2-yl)boronic acid

(8-boronodibenzothiophen-2-yl)boronic acid (PubChem CID 2792628) has the molecular formula C12H10B2O4S and a molecular weight of 271.90 g/mol. Its IUPAC name is (8-boronodibenzothiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(8-boronodibenzothiophen-2-yl)boronic acid
PubChem CID2792628
Molecular FormulaC12H10B2O4S
Molecular Weight271.90 g/mol
Exact Mass272.05
IUPAC Name(8-boronodibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3ccc(B(O)O)cc3c2c1
InChIInChI=1S/C12H10B2O4S/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6,15-18H
InChIKeyZRFLHPYMEWINRJ-UHFFFAOYSA-N
XLogP-0.59
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.90
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-Iododibenzothiophene
CID 458353
2-Methyl-dibenzothiophene
CID 35700
4-Methyldibenzothiophene
CID 30364
Dibenzothiophene-2-boronic Acid
CID 2794660
Pinacol 5-phenylsulphanylmethylbenzo[b]thiophen-2-ylboronate
CID 23655486
2-Phenyl-1-benzothiophene
CID 610886
Dibenzothiophene-4-boronic acid
CID 2734329
3-Iodo-2-phenylbenzo[b]thiophene
CID 11302118

Frequently Asked Questions

What is the IUPAC name of (8-boronodibenzothiophen-2-yl)boronic acid?
The IUPAC name of (8-boronodibenzothiophen-2-yl)boronic acid (CID 2792628) is (8-boronodibenzothiophen-2-yl)boronic acid.
What is the SMILES notation for (8-boronodibenzothiophen-2-yl)boronic acid?
The canonical SMILES for (8-boronodibenzothiophen-2-yl)boronic acid is OB(O)c1ccc2sc3ccc(B(O)O)cc3c2c1.
What is the InChIKey of (8-boronodibenzothiophen-2-yl)boronic acid?
The InChIKey is ZRFLHPYMEWINRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10B2O4S/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12(10)19-11/h1-6,15-18H.
What are the key properties of (8-boronodibenzothiophen-2-yl)boronic acid?
(8-boronodibenzothiophen-2-yl)boronic acid has a molecular weight of 271.90 g/mol, XLogP of -0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-boronodibenzothiophen-2-yl)boronic acid is sourced from PubChem (CID 2792628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).