N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine

Basic Information

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CAS Number

1014-70-6

Molecular Formula

C8H15N5S

Molecular Weight

213.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

82-83 ºC

Boiling Point

312.8°C (rough estimate)

Flash Point

191.6 °C

Refractive Index

1.5500 (estimate)

SMILES

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CCNC1=NC(=NC(=N1)SC)NCC

InChI

InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)

InChIKey

MGLWZSOBALDPEK-UHFFFAOYSA-N

LogP

1.4570999999999998

Topological Polar Surface Area

62.730000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

143

Safety Information

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GHS Hazard Pictograms

H302

H332

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Toxicity

LD50 orally in rats: 1830 mg/kg (Edson)

Synonyms & References

English

2,4-Bis(ethylamino)-6-methylthio-1,3,5-triazine
2-Methylthio-4,6-bis(monoethylamino)-2-triazine
Q27116345
EPA Pesticide Chemical Code 294300
Simetryn 100 microg/mL in Cyclohexane
Simetryn [ISO]
2-methylthio-4,6-bis-ethylamino-1,3,5-triazine
2-methylthio-4,6-bis-ethylamino-1,3,5,-triazine
n2,n4-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
N,N'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
SCHEMBL67522
NSC 163051
NCGC00163921-02
1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(methylthio)-
2,4-Bis(ethylamino)-6-(methylmercapto)-s-triazine
2-(Methylmercapto)-4,6-bis(ethylamino)-s-triazine
NS00010880
0-26-00-00271 (Beilstein Handbook Reference)
BRN 0011728
N2,N4-Diethyl-6-methylthio-1,3,5-triazine-2,4-diamine
UNII-036180247V
N(2),N(4)-diethyl-6-methylthio-1,3,5-triazine-2,4-diamine
2-Methylmercapto-4,6-bis(ethylamino)-s-triazine
Simetryn
HY-B1853
CAS-1014-70-6
NCGC00254610-01
CHEMBL1888800
GY-Bon
4,6-Bis(ethylamino)-2-(methylthio)-1,3,5-triazine
Simetryn [BSI:ISO]

MDL Number

MFCD00078720

Customs Code

2933699012

FAQ

What is N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6)?

N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6) is a synthetic chemical compound with the formula C8H16N6S. It features a triazine ring substituted with diethyl groups, a methylsulfanyl group, and amino groups at positions 2 and 4. This compound is known for its pesticidal properties and is used in agrochemical formulations. It appears as a solid at room temperature and is typically soluble in organic solvents.

What are the main uses of N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6)?

N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6) is primarily used as a pesticide, particularly in herbicide and insecticide applications. It also serves as a key intermediate in pharmaceutical research and industrial chemical synthesis. Its unique structure makes it valuable for developing compounds with specific biological activities, including potential applications in crop protection and drug development.

Is N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6) safe?

Safety of N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6) depends on exposure conditions. It is considered toxic if ingested or inhaled, so proper handling and protective measures are essential. Safety data sheets (SDS) recommend using gloves, goggles, and ventilation. Regulatory bodies like OSHA and EPA classify it under specific safety standards for chemical handling and environmental protection.

How should N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6) be stored?

N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 1014-70-6) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. Maintain temperature below 25°C and humidity under 60% to ensure stability. Use airtight containers made of glass or HDPE. Avoid exposure to air and store in a secure location to prevent accidental spills or contamination.