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5-Bromo-2-chloro-4-(methylthio)pyrimidine

5-Bromo-2-chloro-4-(methylthio)pyrimidine - CAS 59549-51-8

Name: 5-Bromo-2-chloro-4-(methylthio)pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030417
Product Name:	5-Bromo-2-chloro-4-(methylthio)pyrimidine
CAS:	59549-51-8
Synonyms:	5-bromo-2-chloro-4-(methylthio)pyrimidine; 5-bromo-2-chloro-4-methylsulfanylpyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-2-chloro-4-methylsulfanylpyrimidine
Description:	5-Bromo-2-chloro-4-(methylthio)pyrimidine (CAS# 59549-51-8) is a useful research chemical.
Molecular Weight:	239.52
Molecular Formula:	C5H4BrClN2S
Canonical SMILES:	CSC1=NC(=NC=C1Br)Cl
InChI:	InChI=1S/C5H4BrClN2S/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
InChI Key:	GSIMJSNRAAYBOG-UHFFFAOYSA-N
Boiling Point:	346.1 °C at 760 mmHg
Density:	1.83 g/cm³
LogP:	2.61440

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Related Functional Groups

Halides

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[51355-91-0]C6H8ClN3O2
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[102388-00-1]C4H4ClN3O2
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[444581-46-8]C8H7BrF2
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[111-85-3]C8H17Cl
1-Chlorooctane

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

Publication Number	Title	Priority Date
WO-2021063207-A1	Jnk inhibitor, and pharmaceutical composition and use thereof	20190930
US-2021128556-A1	Aminopyrimidine amide autophagy inhibitors and methods of use thereof	20190617
WO-2020257180-A1	Aminopyrimidine amide autophagy inhibitors and methods of use thereof	20190617
US-2020354346-A1	Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof	20190510
US-2020354352-A1	Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof	20190510

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.89671
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.89671
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7