AG006XWX

49844-90-8 | 4-Chloro-2-(methylthio)pyrimidine

AG006XWX

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CAS Number	49844-90-8
Catalog Number	AG006XWX(AGN-PC-0JM2B1)
Chemical Name	4-Chloro-2-(methylthio)pyrimidine
EC Number	256-500-6
IUPAC Name	4-chloro-2-methylsulfanylpyrimidine
InChI	InChI=1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChI Key	DFOHHQRGDOQMKG-UHFFFAOYSA-N
MDL Number	MFCD00006083
Molecular Formula	C5H5ClN2S
Molecular Weight	160.6246
NSC Number	100866
SMILES	C1=CC(=NC(=N1)SC)Cl
Synonyms	49844-90-8, 4-Chloro-2-(methylthio)pyrimidine, 4-Chloro-2-methylthiopyrimidine, 4-Chloro-2-methylsulfanyl-pyrimidine, 4-chloro-2-(methylsulfanyl)pyrimidine, 4-chloro-2-methylsulfanylpyrimidine, pyrimidine, 4-chloro-2-(methylthio)-, DFOHHQRGDOQMKG-UHFFFAOYSA-N, MFCD00006083, 4-Chloro-2-(methylmercapto)pyrimidine, AK-29306, W-202873, 4-Chloro-2-methylthiopyrimidine, 97%, EINECS 256-500-6, NSC100866, zlchem 575, PubChem15403, PubChem15764, ACMC-1ASBN, AC1L3XUO, AC1Q3PWK, NCIOpen2_001949, SCHEMBL18947, KSC497O3J, 2-methylthio-4-chloropyrimidine, 6-Chloro-2-methylthiopyrimidine, CTK3J7734, 2-methylthio-4-chloro pyrimidine, 2-methylthio-4-chloro-pyrimidine, 4-chloro -2-methylthiopyrimidine, 4-chloro-2-methylthio-pyrimidine, DTXSID60198114, ZLD0018, 2-Methylmercapto-6-chlorpyrimidin, 2-(methylthio)-4-chloropyrimidine, ZINC388273, 2-methylmercapto-4-chloropyrimidine, ACT03817, ALBB-031863, BCP27066, CS-M3277, KS-000003DC, ZX-AT007373, 4-chloro-2-(methylthio) pyrimidine, ANW-51184, CC-896, OR6414, SBB054478, AKOS005255070, 4-Chloro-2-(methylsulphanyl)pyrimidine, 4-Chloro-2-methylthiopyrimidine, 98%, C2497G1, FCH1115009, HP21018, MCULE-2767886315, NSC-100866, PB10012, PS-5742, RP08442, RTX-010134, TRA0096176, VP50225, ACM49844908, AC-25659, AJ-20522, AN-41519, BC200467, BR-29306, CC-18599, CJ-03180, HC210017, SC-47861, AB0025122, AX8028853, DB-013326, ST1141015, 4CH-013025, AM20100220, FT-0617987, ST51040011, W6531, C-8087, C-30518, J-514907, S09-0031, Not Available, C5H5ClN2S, 4-Chloro-2- Pyrimidine, C5-H5-Cl-N2-S, CID97113, AR-1L2811, ACN-039060, 2-Methylsulfanylpyrimidine-4-carboxylic acid, A7412, C3087, 4-Chloro-2-(methylthio)pyrimidine, 98% 10g, 1126-44-9, 51865-83-9,

Complexity	91
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.986g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.619g/mol
Monoisotopic Mass	159.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

Lot Number