3-Methylthiophene-2-boronic Acid - CAS 177735-09-0

Catalog:	BB013326
Product Name:	3-Methylthiophene-2-boronic Acid
CAS:	177735-09-0
Synonyms:	(3-methyl-2-thiophenyl)boronic acid; (3-methylthiophen-2-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-methylthiophen-2-yl)boronic acid
Description:	3-Methylthiophene-2-boronic Acid (CAS# 177735-09-0) is a useful research chemical.
Molecular Weight:	141.98
Molecular Formula:	C5H7O2SB
Canonical SMILES:	B(C1=C(C=CS1)C)(O)O
InChI:	InChI=1S/C5H7BO2S/c1-4-2-3-9-5(4)6(7)8/h2-3,7-8H,1H3
InChI Key:	MOOOGTOEKZWEJA-UHFFFAOYSA-N
Boiling Point:	302.1 °C at 760 mmHg
Density:	1.25 g/cm³
MDL:	MFCD00236049
LogP:	-0.26370

Publication Number	Title	Priority Date
CN-111303150-A	High-efficiency narrow-half-peak-width aggregation state luminescent material	20200304
CN-111303150-B	High-efficiency narrow-half-peak-width aggregation state luminescent material	20200304
CN-110590548-A	AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof	20190906
CN-110590548-B	AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof	20190906
WO-2021042411-A1	Akr1c3 inhibitor or pharmaceutically acceptable salt of same, preparation method for same, and uses thereof	20190906

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Related Functional Groups

Boronic Acids and Esters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.0259808
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	142.0259808
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0