3-Methylthiophene-2-boronic acid pinacol ester

• CAS: 885692-91-1
• Catalog Number: ACM885692911
• Category: Boronic Esters
• Molecular Weight: 224.13g/mol
• Molecular Formula: C11H17BO2S
• IUPAC Name: 4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)C
• 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
• InChI Key: DGJCULPYCMEHFZ-UHFFFAOYSA-N
• Complexity: 239
• Covalently-Bonded Unit Count: 1
• Exact Mass: 224.104231g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Monoisotopic Mass: 224.104231g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3-Methylthiophene-2-boronic acid pinacol ester?

The molecular formula is C11H17BO2S.

What is the molecular weight of 3-Methylthiophene-2-boronic acid pinacol ester?

The molecular weight is 224.13 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane.

What is the InChI of 3-Methylthiophene-2-boronic acid pinacol ester?

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

What is the InChIKey of the compound?

The InChIKey is DGJCULPYCMEHFZ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methylthiophene-2-boronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)C.

What is the CAS number of the compound?

The CAS number is 885692-91-1.

What is the EC number of the compound?

The EC number is 640-543-6.

What is the monoisotopic mass of 3-Methylthiophene-2-boronic acid pinacol ester?

The monoisotopic mass is 224.1042311 g/mol.

Is 3-Methylthiophene-2-boronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.