2-Bromo-5-(methylthio)pyrazine - CAS 1049026-49-4

Catalog:	BB001514
Product Name:	2-Bromo-5-(methylthio)pyrazine
CAS:	1049026-49-4
Synonyms:	2-bromo-5-(methylthio)pyrazine; 2-bromo-5-methylsulfanylpyrazine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-5-methylsulfanylpyrazine
Description:	2-Bromo-5-(methylthio)pyrazine (CAS# 1049026-49-4) is a useful research chemical.
Molecular Weight:	205.08
Molecular Formula:	C5H5BrN2S
Canonical SMILES:	CSC1=CN=C(C=N1)Br
InChI:	InChI=1S/C5H5BrN2S/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
InChI Key:	ADYYWEIFRRHWRJ-UHFFFAOYSA-N
Boiling Point:	270.468 °C at 760 mmHg
Density:	1.722 g/cm³
LogP:	1.96100

Publication Number	Title	Priority Date
AU-2017246996-A1	Thiazolopyridine derivatives as GPR119 agonists	20160408
AU-2017246996-B2	Thiazolopyridine derivatives as GPR119 agonists	20160408
AU-2020201450-A1	Thiazolopyridine derivatives as GPR119 agonists	20160408
CA-3020478-A1	Thiazolopyridine derivatives as gpr119 agonists	20160408
CN-109415381-A	Thiazolopyridine derivatives as GPR119 agonist	20160408

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Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.93568
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.93568
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7