4,6-Dichloro-2-(methylsulfonyl)pyrimidine - CAS 4489-34-3

Catalog:	BB025725
Product Name:	4,6-Dichloro-2-(methylsulfonyl)pyrimidine
CAS:	4489-34-3
Synonyms:	4,6-dichloro-2-methylsulfonylpyrimidine; 4,6-dichloro-2-methylsulfonylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4,6-dichloro-2-methylsulfonylpyrimidine
Description:	4,6-Dichloro-2-(methylsulfonyl)pyrimidine (CAS# 4489-34-3) is a useful research chemical.
Molecular Weight:	227.07
Molecular Formula:	C5H4Cl2N2O2S
Canonical SMILES:	CS(=O)(=O)C1=NC(=CC(=N1)Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2O2S/c1-12(10,11)5-8-3(6)2-4(7)9-5/h2H,1H3
InChI Key:	DROUVIKCNOHKBA-UHFFFAOYSA-N
Boiling Point:	402.3 °C at 760 mmHg
Density:	1.604 g/cm³
MDL:	MFCD00672147
LogP:	2.26770

Publication Number	Title	Priority Date
WO-2021178485-A1	Pyrimidine compounds and their pharmaceutical uses	20200306
WO-2021163727-A1	Pikfyve kinase inhibitors	20200211
WO-2021105908-A1	Heteroaryl compounds and therapeutic uses thereof in conditions associated with the alteration of the activity of beta-glucocerebrosidase	20191125
WO-2020179443-A1	Laminate for high-frequency circuit, method for producing same, flexible printed board, b stage sheet, and wound laminate	20190301
TW-202102575-A	Laminated body for high frequency circuit and manufacturing method thereof, flexible printed circuit board, B-stage sheet, and laminated body wound body	20190301

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Related Functional Groups

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.9370539
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.9370539
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7