AG003MG0

859941-10-9 | 5-Bromo-2-(ethylthio)pyrimidine

AG003MG0

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CAS Number	859941-10-9
Catalog Number	AG003MG0(AGN-PC-09MP2G)
Chemical Name	5-Bromo-2-(ethylthio)pyrimidine
IUPAC Name	5-bromo-2-ethylsulfanylpyrimidine
InChI	InChI=1S/C6H7BrN2S/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChI Key	OBJMSKDZPPMOAV-UHFFFAOYSA-N
MDL Number	MFCD13188492
Molecular Formula	C6H7BrN2S
Molecular Weight	219.1022
SMILES	BrC1C=NC(=NC=1)SCC
Synonyms	5-Bromo-2-(ethylthio)pyrimidine, 859941-10-9, 5-Bromo-2-(ethylsulfanyl)pyrimidine, ACMC-209q82, CTK5F6165, 5-bromo-2-ethylsulfanylpyrimidine, DTXSID80680703, 5-Bromo-2-(ethyl thio)pyrimidine, ANW-38256, MFCD13188492, ZINC40456715, Pyrimidine, 5-bromo-2-(ethylthio)-, AKOS013181842, AJ-103329, ST2406093, TR-038029, V8149, 5-Bromo-2-(ethylthio)pyrimidine, AldrichCPR, B-5423, I03-774, C6H7BrN2S,

Complexity	93.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.951g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.1g/mol
Monoisotopic Mass	217.951g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H318
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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