4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one

Basic Information

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CAS Number

21087-64-9

Molecular Formula

C8H14N4OS

Molecular Weight

214.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

125 ºC

Boiling Point

312.4 °C at 760 mmHg

Flash Point

2 °C

Refractive Index

1.618

SMILES

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CSc1nnc(c(=O)n1N)C(C)(C)C

InChI

InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3

InChIKey

FOXFZRUHNHCZPX-UHFFFAOYSA-N

LogP

0.3714999999999997

Topological Polar Surface Area

73.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

316

Safety Information

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GHS Hazard Pictograms

H302

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 orally in rats: 2200 mg/kg; LC50 in rainbow trout: >10 ppm (Loeser, Kimmerle)

Synonyms & References

English

Metribuzin
4-Amino-6-(1,1-dimethylethyl)-3-methylthio-1,2,4-triazine-5-tetrahydrogenketone
Sencor
Lexone
4-Amino-6-Tert-Butyl-3-(Methylthio)-1,2,4-Triazin-5-One
Sencoral(Bayer)
Lexone(du pont)
4-amino-6-tert-butyl-3-methylthio-1,2,4-triazine-5-(4H)-one
4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one
1,2,4-triazin-5(4H)-one
PRETILACHLOR
2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one
4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
4-Amino-6-tert-butyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one
Metribuzin solution
Metribuzi
1,2,4-triazinone
4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
4-amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one
4-amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5-one
4-amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one
METR
Metribuzin Standard
Metribuzine
Sencor DF
Senkor
Zenkor
Bay 94337
Bayer 6159H
Lexone 75DF

MDL Number

MFCD00055525

Customs Code

2933699014

FAQ

What is 4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one (CAS: 21087-64-9)?

4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one (CAS: 21087-64-9) is a triazine derivative with an amino group at position 4, a methylthio group at position 3, and a tert-butyl group at position 6. It is a heterocyclic compound containing sulfur and nitrogen atoms, commonly used as an intermediate in chemical synthesis. Its molecular formula is C8H14N4OS, and it exhibits solubility in polar solvents due to functional groups like sulfanyl and amino.

What are the main uses of 4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one (CAS: 21087-64-9)?

This compound is primarily used in pharmaceutical research for developing drugs targeting metabolic disorders. It also serves as an industrial chemical intermediate in the synthesis of agrochemicals and specialty materials. Additionally, it is employed in organic chemistry studies for its reactivity in sulfide and amine functionalization. Its versatility makes it relevant in chemical research and applications involving triazine-based compounds.

Is 4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one (CAS: 21087-64-9) safe?

Safety of 4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one (CAS: 21087-64-9) depends on exposure conditions. It is generally considered hazardous due to potential irritant properties; therefore, protective measures like gloves, goggles, and proper ventilation are recommended. Always follow OSHA and EPA guidelines for handling chemicals with sulfanyl and amino groups to ensure safety in industrial and research settings.

How should 4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one (CAS: 21087-64-9) be stored?

Store 4-Amino-6-(2-methyl-2-propanyl)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one (CAS: 21087-64-9) in a cool, dry place (ideally 15-25°C), away from light and moisture. Keep in airtight containers to prevent degradation. Avoid exposure to strong oxidizing agents. Proper storage ensures stability and extends shelf life, as recommended by chemical safety guidelines for triazine derivatives.