5-Methylthiophene-2-boronic Acid Pinacol Ester - CAS 476004-80-5

Name: 5-Methylthiophene-2-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026349
Product Name:	5-Methylthiophene-2-boronic Acid Pinacol Ester
CAS:	476004-80-5
Synonyms:	4,4,5,5-tetramethyl-2-(5-methyl-2-thiophenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(5-methylthiophen-2-yl)-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	4,4,5,5-tetramethyl-2-(5-methylthiophen-2-yl)-1,3,2-dioxaborolane
Description:	5-Methylthiophene-2-boronic Acid Pinacol Ester (CAS# 476004-80-5) is a useful research chemical.
Molecular Weight:	224.13
Molecular Formula:	C11H17O2SB
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C
InChI:	InChI=1S/C11H17BO2S/c1-8-6-7-9(15-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3
InChI Key:	LTOLNTYOBPPFLS-UHFFFAOYSA-N
Boiling Point:	308.2 °C at 760 mmHg
Flash Point:	221.0 °F
Purity:	95 %
Density:	0.937 g/mL at 25 °C (lit.)
Appearance:	Light yellow clear liquid
LogP:	2.35570

Publication Number	Title	Priority Date
AU-2021203261-B1	Novel dioxoloisoquinolinone derivatives and use thereof	20200813
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WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
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Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.1042311
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.1042311
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0