Structure

5-(Methylthio)pyridine-3-boronic acid

CAS
477251-98-2
Catalog Number
ACM477251982
Category
Boronic Acids
Molecular Weight
169.01
Molecular Formula
C6H8BNO2S

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What is the molecular formula of 5-(Methylthio)pyridine-3-boronic acid?

The molecular formula is C6H8BNO2S.

What is the molecular weight of 5-(Methylthio)pyridine-3-boronic acid?

The molecular weight is 169.01 g/mol.

What is the IUPAC name of 5-(Methylthio)pyridine-3-boronic acid?

The IUPAC name is (5-methylsulfanylpyridin-3-yl)boronic acid.

What is the InChI of 5-(Methylthio)pyridine-3-boronic acid?

The InChI is InChI=1S/C6H8BNO2S/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3.

What is the InChIKey of 5-(Methylthio)pyridine-3-boronic acid?

The InChIKey is QNLQSEKMIZSQOG-UHFFFAOYSA-N.

What is the canonical SMILES of 5-(Methylthio)pyridine-3-boronic acid?

The canonical SMILES is B(C1=CC(=CN=C1)SC)(O)O.

What is the CAS number of 5-(Methylthio)pyridine-3-boronic acid?

The CAS number is 477251-98-2.

How many hydrogen bond donor count does 5-(Methylthio)pyridine-3-boronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does 5-(Methylthio)pyridine-3-boronic acid have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 5-(Methylthio)pyridine-3-boronic acid?

The topological polar surface area is 78.6Ų.

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