2-(Methylthio)pyrimidine-5-boronic Acid - CAS 348098-29-3

Catalog:	BB022296
Product Name:	2-(Methylthio)pyrimidine-5-boronic Acid
CAS:	348098-29-3
Synonyms:	[2-(methylthio)-5-pyrimidinyl]boronic acid; (2-methylsulfanylpyrimidin-5-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-methylsulfanylpyrimidin-5-yl)boronic acid
Description:	2-(Methylthio)pyrimidine-5-boronic Acid (CAS# 348098-29-3) is a useful research chemical.
Molecular Weight:	170.00
Molecular Formula:	C5H7N2O2SB
Canonical SMILES:	B(C1=CN=C(N=C1)SC)(O)O
InChI:	InChI=1S/C5H7BN2O2S/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
InChI Key:	SLNVTXVTMQIKCE-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD07375142
LogP:	-1.12170

Publication Number	Title	Priority Date
KR-20190110736-A	Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same	20180321
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
CN-111886233-A	Novel triazolone derivative or salt thereof and pharmaceutical composition 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:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0321288
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.0321288
Rotatable Bond Count:	2
Topological Polar Surface Area:	91.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0