CAS 885692-91-1|4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane|3-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene|4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,...

General Information

Structure

Molecular Formula

C₁₁H₁₇BO₂S

Molecular Mass

224.12748

Exact Mass

224.10423118

Charge

InChI

InChI=1S/C11H17BO2S/c1-8-6-7-15-9(8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3

InChIKey

DGJCULPYCMEHFZ-UHFFFAOYSA-N

Canonic Smiles

Cc1ccsc1B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2c(ccs2)C)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.9615

LogD (pH = 7.4)

3.9615

Log P

3.9615

Molar Refractivity

57.02

Polarizability

24.420511

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane

Synonyms

3-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene3-Methylthiophene-2-boronic acid, pinacol ester3-甲基噻吩-2-硼酸频哪醇酯4,4,5,5-四甲基-2-(3-甲基-2-噻吩基)-1,3,2-二氧杂硼烷3-Methylthiophene-2-boronic acid pinacol ester4,4,5,5-Tetramethyl-2-(3-methyl-2-thienyl)-1,3,2-dioxaborolane

IUPAC Traditional name

4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID