5-(Bromomethyl)-2-(methylthio)pyrimidine - CAS 323591-23-7

Catalog:	BB021264
Product Name:	5-(Bromomethyl)-2-(methylthio)pyrimidine
CAS:	323591-23-7
Synonyms:	5-(bromomethyl)-2-(methylthio)pyrimidine; 5-(bromomethyl)-2-methylsulfanylpyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(bromomethyl)-2-methylsulfanylpyrimidine
Description:	5-(Bromomethyl)-2-(methylthio)pyrimidine (CAS# 323591-23-7 ) is a useful research chemical.
Molecular Weight:	219.10
Molecular Formula:	C6H7BrN2S
Canonical SMILES:	CSC1=NC=C(C=N1)CBr
InChI:	InChI=1S/C6H7BrN2S/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,2H2,1H3
InChI Key:	SOSDEQHBZAMJQC-UHFFFAOYSA-N
LogP:	2.09340

Publication Number	Title	Priority Date
US-2018230115-A1	cGAS ANTAGONIST COMPOUNDS	20160405
US-10947206-B2	cGAS antagonist compounds	20160405
EP-3139918-A1	Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors	20140509
EP-3139918-B1	Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors	20140509
US-2017173035-A1	Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors	20140509

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Related Functional Groups

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

Complexity:	93.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.95133
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.95133
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6