AG0034VO

75824-03-2 | Ethyl 5-chloro-3-(methylsulfanyl)-1,2,4-triazine-6-carboxylate

AG0034VO

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CAS Number	75824-03-2
Catalog Number	AG0034VO(AGN-PC-00BJMM)
Chemical Name	Ethyl 5-chloro-3-(methylsulfanyl)-1,2,4-triazine-6-carboxylate
IUPAC Name	ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate
InChI	InChI=1S/C7H8ClN3O2S/c1-3-13-6(12)4-5(8)9-7(14-2)11-10-4/h3H2,1-2H3
InChI Key	WXJHHRMJGBPYEG-UHFFFAOYSA-N
MDL Number	MFCD09953614
Molecular Formula	C7H8ClN3O2S
Molecular Weight	233.6753
SMILES	CCOC(=O)c1nnc(nc1Cl)SC
Synonyms	75824-03-2, Ethyl 5-Chloro-3-(Methylthio)-1,2,4-Triazine-6-Carboxylate, ETHYL 5-CHLORO-3-(METHYLSULFANYL)-1,2,4-TRIAZINE-6-CARBOXYLATE, ETHYL5-CHLORO-3-(METHYLTHIO)-1,2,4-TRIAZINE-6-CARBOXYLATE, A1-01953, 1,2,4-Triazine-6-carboxylic acid, 5-chloro-3-(methylthio)-, ethyl ester, ACMC-20edz5, C7H8ClN3O2S, SCHEMBL5925649, CTK5E2053, KS-00001DXM, DTXSID50468550, WXJHHRMJGBPYEG-UHFFFAOYSA-N, BCP29197, CS-B0748, MFCD09953614, ZINC35803775, AKOS016009283, AB55532, TRA0041285, CJ-18836, AX8225354, DB-075024, TX-011048, FT-0714337, X8002, S-7888, 6-carbethoxy-5-chloro-3-methylthio-1,2,4-triazine, 3-methylthio-5-chloro-6-carboethoxy-1,2,4-triazine, 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid, ethyl ester, ETHYL 5-CHLORO-3-(METHYLTHIO)-1 pound not2 pound not4-TRIAZINE-6-CARBOXYLATE, CID11557703, Ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate, 351003-54-8,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.003g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.67g/mol
Monoisotopic Mass	233.003g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	90.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

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