5-(Hydroxymethyl)thiophene-2-boronic Acid - CAS 338454-45-8

Catalog:	BB021863
Product Name:	5-(Hydroxymethyl)thiophene-2-boronic Acid
CAS:	338454-45-8
Synonyms:	[5-(hydroxymethyl)-2-thiophenyl]boronic acid; [5-(hydroxymethyl)thiophen-2-yl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[5-(hydroxymethyl)thiophen-2-yl]boronic acid
Description:	5-(Hydroxymethyl)thiophene-2-boronic Acid (CAS# 338454-45-8) is a useful research chemical.
Molecular Weight:	157.98
Molecular Formula:	C5H7O3SB
Canonical SMILES:	B(C1=CC=C(S1)CO)(O)O
InChI:	InChI=1S/C5H7BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7-9H,3H2
InChI Key:	IVBZNXLSUVVBCY-UHFFFAOYSA-N
Boiling Point:	399.9 °C at 760 mmHg
Density:	1.42 g/cm³
Appearance:	Solid
LogP:	-1.07980

Publication Number	Title	Priority Date
AU-2018294557-A1	Imidazo(1,2-a)pyrazine modulators of the adenosine A2A receptor	20170630
CA-3067765-A1	Imidazo[1,2-a]pyrazine modulators of the adenosine a2a receptor	20170630
CN-110809577-A	Modulators of adenosine A2A receptor	20170630
EP-3645536-A1	Imidazo[1,2-a]pyrazine modulators of the adenosine a2a receptor	20170630
KR-20200022027-A	Imidazo [1,2, a] pyrazine modulators of adenosine A2A receptors	20170630

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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