AG004NQP

87026-45-7 | 4-CHLORO-5-METHOXY-2-(METHYLSULFANYL)PYRIMIDINE

AG004NQP

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CAS Number	87026-45-7
Catalog Number	AG004NQP(AGN-PC-0JOHDU)
Chemical Name	4-CHLORO-5-METHOXY-2-(METHYLSULFANYL)PYRIMIDINE
IUPAC Name	4-chloro-5-methoxy-2-methylsulfanylpyrimidine
InChI	InChI=1S/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3
InChI Key	SWERHXRSRVRUFG-UHFFFAOYSA-N
MDL Number	MFCD00223689
Molecular Formula	C6H7ClN2OS
Molecular Weight	190.6506
NSC Number	53416
SMILES	CSC1=NC=C(OC)C(Cl)=N1
Synonyms	87026-45-7, 4-chloro-5-methoxy-2-(methylthio)pyrimidine, 4-chloro-5-methoxy-2-(methylsulfanyl)pyrimidine, pyrimidine, 4-chloro-5-methoxy-2-(methylthio)-, 4-chloro-5-methoxy-2-methylthiopyrimidine, 4-chloro-5-methoxy-2-methylsulfanyl-pyrimidine, NSC53416, AC1L6BPV, SCHEMBL167812, CTK3E8635, DTXSID50287920, SWERHXRSRVRUFG-UHFFFAOYSA-N, ZINC392480, chloromethoxymethylsulfanylpyrimidine, FCH840583, MFCD00223689, NSC-53416, SBB091204, AKOS005070420, 4J-396S, HP21484, MCULE-3539004589, QC-5698, RP11282, KS-00000O25, AK325759, HC210548, 5-methoxy-4-chloro-2-methylthio-pyrimidine, TR-032603, CS-0045718, FT-0680364, Z2852, 4-chloro-5-methoxy-2-methylsulfanylpyrimidine, 2-methylsulphenyl-4-chloro-5-methoxy-pyrimidine, I03-1148, J-515058, InChI=1/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H, C6H7ClN2OS, CID243511, 4-Chloro-5-methoxy-2-(methylthio)pyrimidine, 97% - 500MG 500mg,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.997g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.645g/mol
Monoisotopic Mass	189.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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