ChemicalBook--->CAS DataBase List--->57052-04-7

57052-04-7

57052-04-7 Structure

57052-04-7 Structure
IdentificationBack Directory
[Name]

ISOMETHIOZIN
[CAS]

57052-04-7
[Synonyms]

dic1577
tantizon
Brn 0664876
ISOMETHIOZIN
-(methylthio)-
iazin-5(4h)-one
Einecs 260-532-6
isomethiozin (bsi,iso)
1,2,4-TRIAZIN-5(4H)-ONE
ISOMETHIOZIN PESTANAL
ISOMETHIOZIN PESTANAL 250 MG
Isomethiozin Solution, 100ppm
Isomethiozin Solution in Methanol, 100μg/mL
6-tert-butyl-4-isobutylidenamino-3-methylthio-1,2,4-triazin-5-one
6-tert-butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5-one
6-t-Butyl-4-isobutylideneamino-3-methylthio-1,2,4-triazin-5(4H)-one
6-(1,1-dimethylethyl)-4-((2-methylpropylidene)amino)-3-(methylthio)-1,2,4-tr
1,2,4-triazin-5(4h)-one,6-(1,1-dimethylethyl)-4-((2-methylpropylidene)amino)-3
6-tert-Butyl-4-([(E)-2-methylpropylidene]amino)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
6-(1,1-Dimethylethyl)-4-((2-methylpropylidene)amino)-3-(methylthio)-1, 2,4-triazin-5(4H)-one
1,2,4-Triazin-5(4H)-one, 6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-
[EINECS(EC#)]

260-532-6
[Molecular Formula]

C12H20N4OS
[MDL Number]

MFCD00055305
[MOL File]

57052-04-7.mol
[Molecular Weight]

268.38
Chemical PropertiesBack Directory
[Boiling point ]

350.9±25.0 °C(Predicted)
[density ]

1.14±0.1 g/cm3(Predicted)
[form ]

neat
[pka]

-0.10±0.20(Predicted)
[Henry's Law Constant]

7.9×102 mol/(m3Pa) at 25℃, MacBean (2012)
[EPA Substance Registry System]

Isomethiozin (57052-04-7)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

XZ3018760
[HS Code ]

29336990
Hazard InformationBack Directory
[Production Methods]

Commercial production details for isomethiozin are not disclosed in any public technical source but its structure and chemical class allow its manufacturing logic to be inferred from standard triazinone herbicide chemistry. Commercial synthesis would begin with construction of the 1,2,4 triazin 5 one ring, typically via condensation of appropriate amidine and carbonyl precursors. The methylthio substituent at the 3 position would be introduced through controlled thiomethylation of the heterocycle, while the tert butyl group at the 6 position would be installed through alkylation using a tert butylating reagent under conditions that preserve the sensitive triazinone core. The final defining step is formation of the alkylideneamino (Schiff base like) substituent at the 4 position by condensation of the triazinone with an isobutyraldehyde derived fragment, producing the characteristic imine functionality. Purification, typically crystallisation or solvent washing, yields technical grade isomethiozin for formulation.
[Mechanism of action]

Inhibits photosynthesis (photosystem II).
[Pesticide Type]

Herbicide
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