3-(Methylthio)phenylboronic acid

Details:

1. Introduction of 3-(Methylthio)phenylboronic acid

3-(Methylthio)phenylboronic acid (CAS NO.128312-11-8) is a similar white powder and used as a intermediate in organic synthesis. We can provide its 99%min(HPLC) and delivery it from the beijing port. Our production capacity is 10 metric ton per year. The FOB price of this product is 0-100000 USD/kilogram. It is in stock now and order from the min. 1 kilogram. Besides, you can pay us via L/C or T/T.

Other specification:

Appearance:Similar white powder
Assay: ≥99%(HPLC)
Melting Point: 154-160℃(≤2℃)
Synonyms:  3-boronothioanisole;3-thioanisoleboronic acid;m-(methylthio)phenylboronic acid;3-thioanisoleboromic acid
Formula:   C₇H₉BO₂S
CAS NO.: 128312-11-8
M.W.:    168.02
Feature:  Similar white powder, Soluble in methanol. mp 154-160℃.

2. Basic information of 3-(Methylthio)phenylboronic acid

1) Properties:

(1)H-Bond Donor: 2; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 2; (4)Exact Mass: 168.041631; (5)MonoIsotopic Mass: 168.041631; (6)Topological Polar Surface Area: 65.8; (7)Heavy Atom Count: 11; (8)Formal Charge: 0; (9)Complexity: 121; (10)Isotope Atom Count: 0; (11)Defined Atom Stereocenter Count: 0; (12)Undefined Atom Stereocenter Count: 0; (13)Defined Bond Stereocenter Count: 0; (14)Undefined Bond Stereocenter Count: 0; (15)Covalently-Bonded Unit Count: 1.

2) Descriptors of Structure

IUPAC Name: (3-methylsulfanylphenyl)boronic acid
InChI: InChI=1S/C7H9BO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChIKey: TYVPOLHSKGEXIH-UHFFFAOYSA-N
Canonical SMILES: B(C1=CC(=CC=C1)SC)(O)O