AG003F4O

28159-98-0 | 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine

AG003F4O

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CAS Number	28159-98-0
Catalog Number	AG003F4O(AGN-PC-0R3P5I)
Chemical Name	2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine
EC Number	248-872-3
IUPAC Name	2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
InChI	InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChI Key	HDHLIWCXDDZUFH-UHFFFAOYSA-N
MDL Number	MFCD01863779
Molecular Formula	C11H19N5S
Molecular Weight	253.3671
SMILES	CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1
UNII	E7B77O21GH
Synonyms	2-methylthio-4-tert-butylamino-6-cyclopropylamino-s-triazine, irgarol 1051, Cybutryne, 28159-98-0, Irgarol 1051, Irgarol, Cybutryne [ISO], 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine, UNII-E7B77O21GH, 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine, EINECS 248-872-3, N'-tert-Butyl-N-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, N2-(tert-Butyl)-N4-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, CHEBI:5962, E7B77O21GH, 1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-, 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine, Cybutrin, Irgarol®, C11H19N5S, 4-N-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, ACMC-20aoma, Irgarol 1071, Nuocide 1051, Irgaguard A 2000, Irgaguard D 1071, Microban Additive IA 1, AC1L3MDV, DSSTox_CID_12416, DSSTox_RID_78942, DSSTox_GSID_32416, SCHEMBL241791, SCHEMBL8008580, CHEMBL3185551, DTXSID3032416, CTK7B5344, HDHLIWCXDDZUFH-UHFFFAOYSA-N, ZINC900555, KS-000015TU, Tox21_302267, MFCD01863779, AKOS025310885, TRA0008296, ACM28159980, NCGC00255369-01, AN-16753, R872, ZB015182, CAS-28159-98-0, DB-029303, Irgarol 1051 10 microg/mL in Cyclohexane, LS-155248, TC-171577, FT-0670416, I0842, C10927, Irgarol(R), PESTANAL(R), analytical standard, 159C980, 2-methylthio-4-t-butylamino-6-cyclopropylamino-s-triazine, 2-(Methylthio)-4-(tert-butylamino)-6-(cyclopropylamino)-s-triazine, N-tert-Butyl-N-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, N2-tert-butyl-N4-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, N2-tert-butyl-N4-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, 1,3,5-Triazine-2,4-diamine,N2-cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-, N-Cyclopropyl-N inverted exclamation mark -(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine, CID91590, C11-H19-N5-S, 1,3,5-Triazine-2,4-diamine, N2-cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-, 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine, 99% - 25G 25g, N2-Cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.136g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	253.368g/mol
Monoisotopic Mass	253.136g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	88A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H317-H400
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 3077

Certificate of Analysis

Lot Number