AG00IBW3

69004-03-1 | 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

AG00IBW3

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CAS Number	69004-03-1
Catalog Number	AG00IBW3(AGN-PC-0JL8JK)
Chemical Name	1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
IUPAC Name	1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
InChI	InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
InChI Key	OCINXEZVIIVXFU-UHFFFAOYSA-N
MDL Number	MFCD00867201
Molecular Formula	C18H14F3N3O4S
Molecular Weight	425.3817
NSC Number	759176
SMILES	CN1C(N(C(NC1=O)=O)C1=CC(=C(C=C1)OC1=CC=C(C=C1)SC(F)(F)F)C)=O
UNII	QVZ3IAR3JS
Synonyms	BAY i 9142, BAY i-9142, BAY-i 9142, Baycox, toltrazuril, Toltrazuril, 69004-03-1, Baycox, Toltrazurilo, Toltrazurilum, Toltrazurilum [Latin], Toltrazurilo [Spanish], UNII-QVZ3IAR3JS, bay vi 9142, QVZ3IAR3JS, 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione, MFCD00867201, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-, 1-Methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione, 1-Methyl-3-{3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, C18H16F3N3O4S, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-, SR-05000001740, Bay-i 9142, Toltrazuril [USAN:BAN:INN], Toltrazuril [USAN:INN:BAN], Toltrazuril;, BAY i 9142, BAY i-9142, 1-methyl-3-(3-methyl-4-(4-(trifluoromethylthio)phenoxy)phenyl)-1,3,5-triazinane-2,4,6-trione, 1-methyl-3-[3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione, PubChem2436, AC1Q6FBV, Toltrazuril (USAN/INN), MLS006010653, SCHEMBL248912, BAY-Vi 9142, AC1L2A24, CHEMBL2104931, BAY-VI-9142, CHEBI:93130, KS-00000JMH, DTXSID90219063, HMS2090D08, HMS3652O21, HMS3715K22, Pharmakon1600-01505681, ZINC538476, BCP11761, HY-B0175, AC-792, DL-522, GA3944, KM1233, NSC759176, s4044, AKOS015889482, API0004448, CCG-213509, CS-2051, DS-3379, MCULE-5019459961, NSC-759176, NCGC00263905-02, AK546835, AN-15513, BC208823, CC-35097, SC-46591, SMR000857261, ZB014387, SBI-0206811.P001, AB0106172, AB1009480, LS-176716, TR-031526, FT-0082236, FT-0630780, SW199566-2, D06187, AB01563104_01, AB01563104_02, Toltrazuril, VETRANAL(TM), analytical standard, 004T031, A836306, C-22143, I01-2015, SR-05000001740-1, SR-05000001740-2, BRD-K64514229-001-01-1, 1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, 1-Methyl-3-{3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; Baycox, C18H14F3N3O4S, Toltrazuril, 98% - 1G 1g, CID68591, AR-1H7781, CS-O-02511, C18-H14-F3-N3-O4-S, B2054, C036670, 1-methyl-3-[4-[p-[(trifluoromethyl)thio]phenoxy]-m-tolyl]-s-triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-{3-methyl-4-(4-(trifluoromethylthio)phenoxy)phenyl}-1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 71306-36-0,

Complexity	655
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	425.066g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	425.382g/mol
Monoisotopic Mass	425.066g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number