5-(Hydroxymethyl)thiophene-3-boronic Acid - CAS 1268683-45-9

Catalog:	BB006689
Product Name:	5-(Hydroxymethyl)thiophene-3-boronic Acid
CAS:	1268683-45-9
Synonyms:	[5-(hydroxymethyl)-3-thiophenyl]boronic acid; [5-(hydroxymethyl)thiophen-3-yl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[5-(hydroxymethyl)thiophen-3-yl]boronic acid
Description:	5-(Hydroxymethyl)thiophene-3-boronic Acid (CAS# 1268683-45-9) is a useful research chemical compound.
Molecular Weight:	157.98
Molecular Formula:	C5H7O3SB
Canonical SMILES:	B(C1=CSC(=C1)CO)(O)O
InChI:	InChI=1S/C5H7BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3,7-9H,2H2
InChI Key:	KSCBULRYCWLXQG-UHFFFAOYSA-N
LogP:	-1.07980

Publication Number	Title	Priority Date
US-2019322655-A1	Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321
WO-2019180646-A1	Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321
AU-2019237344-A1	Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321
KR-20200124759-A	Novel triazolone derivative or salt thereof, and pharmaceutical composition comprising the same	20180321
EP-3768675-A1	Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321

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Related Functional Groups

Boronic Acids and Esters

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Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0208954
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	158.0208954
Rotatable Bond Count:	2
Topological Polar Surface Area:	88.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0