4-Methyl-3-thiopheneboronic Acid - CAS 177735-11-4

Catalog:	BB013328
Product Name:	4-Methyl-3-thiopheneboronic Acid
CAS:	177735-11-4
Synonyms:	(4-methyl-3-thiophenyl)boronic acid; (4-methylthiophen-3-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-methylthiophen-3-yl)boronic acid
Description:	4-Methyl-3-thiopheneboronic Acid (CAS# 177735-11-4) is a useful research chemical.
Molecular Weight:	141.98
Molecular Formula:	C5H7O2SB
Canonical SMILES:	B(C1=CSC=C1C)(O)O
InChI:	InChI=1S/C5H7BO2S/c1-4-2-9-3-5(4)6(7)8/h2-3,7-8H,1H3
InChI Key:	LVPFZXKLROORIK-UHFFFAOYSA-N
Boiling Point:	302.1 °C at 760 mmHg
Density:	1.25 g/cm³
MDL:	MFCD04039882
LogP:	-0.26370

Publication Number	Title	Priority Date
CN-113189175-A	Preparation method of molecular imprinting sensor, product obtained by preparation method and application of molecular imprinting sensor	20210322
US-2019374542-A1	Kras g12c inhibitors and methods of using the same	20180612
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

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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