3-(Methylthio)phenylboronic acid
Product Information
Molecular Formula
C7H9BO2S
Molecular Weight
168.02
Description
3-(Methylthio)phenylboronic acid, an indispensable compound in the field of biomedicine, plays a pivotal role in the synthesis of diverse pharmaceuticals geared towards combating critical health conditions such as cancer, diabetes, and inflammation. Its distinctive molecular configuration renders it a crucial intermediate in the pursuit of targeted therapeutic interventions and pharmaceutical investigations.
Synonyms
4-(Methylthiophenyl)boronic acid; Boronic acid, [3-(methylthio)phenyl]-; [3-(methylthio)phenyl]boronic acid; 3-BORONOTHIOANISOLE; [3-(methylsulfanyl)phenyl]boranediol; M-(METHYLTHIO)PHENYLBORONIC ACID; Boronic acid, B-[3-(methylthio)phenyl]-; 3-methylthiophenyl boronic acid; DTXSID20370272; 3-(methylthio)-phenylboronic acid; 3-methylsulfanyl-phenylboronic acid; 3-(methylsulfanyl)phenyl-boronic acid; [3-(methylsulfanyl)phenyl]boronic acid; 3-(Methylthio)phenylboronic acid, 95%; 3-(methylthio)phenylboronic acid; 3-Methylthiobenzeneboronic acid; {[(3-THIOXOCYCLOHEXA-1,5-DIEN-1-YL)OXY]METHYL}BORONIC ACID
IUPAC Name
(3-methylsulfanylphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)SC)(O)O
InChI
InChI=1S/C7H9BO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key
TYVPOLHSKGEXIH-UHFFFAOYAK
Melting Point
160-162 °C (lit.)
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
168.0416309 g/mol
Monoisotopic Mass
168.0416309 g/mol
Topological Polar Surface Area
65.8Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
121
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022035763-A1 | Boron containing compounds and their uses | 2020-08-10 |
| CN-111303150-A | High-efficiency narrow-half-peak-width aggregation state luminescent material | 2020-03-04 |
| CN-111303150-B | High-efficiency narrow-half-peak-width aggregation state luminescent material | 2020-03-04 |
| WO-2021138391-A1 | Indazole compounds | 2019-12-30 |
| WO-2020262451-A1 | Metal-organic framework having terephthalic acid based ligand | 2019-06-25 |
| CN-114072454-A | Metal-organic structure having terephthalic acid-based ligand | 2019-06-25 |
| US-2020003773-A1 | Optical detection of biological components | 2018-04-05 |
| WO-2019098211-A1 | Annulated pyrazole derivative and medicinal use therefor | 2017-11-15 |
| JP-2018170236-A | Nonaqueous electrolyte for batteries and lithium secondary battery | 2017-03-30 |
| JP-6884020-B2 | Non-aqueous electrolyte for batteries and lithium secondary battery | 2017-03-30 |
