5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole - CAS 2096996-97-1

Catalog:	BB063790
Product Name:	5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CAS:	2096996-97-1
Synonyms:	5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole; 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole; 5-METHYLTHIAZOL-2-YLBORONIC ACID PINACOL ESTER

Technical Data

IUPAC Name:	5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Description:	5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is a useful research chemical compound used in the preparation of heterocyclic compounds. and their use in the treatment of bacterial infection.
Molecular Weight:	225.12
Molecular Formula:	C10H16BNO2S
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=NC=C(S2)C
InChI:	InChI=1S/C10H16BNO2S/c1-7-6-12-8(15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3
InChI Key:	LOEFTPIZRSSKLD-UHFFFAOYSA-N
References:	Cumming, J., et al. PCT Int. Appl. WO 2021190727 970, (2021).

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.0994801
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.0994801
Rotatable Bond Count:	1
Topological Polar Surface Area:	59.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0