Prometryn solution - analytical standard, 10μg/ml in acetone , CAS No.7287-19-6

CAS: 7287-19-6 Cat. No.: P109356 Fórmula: C₁₀H₁₉N₅S Peso molecular: 241.36 Beilstein Registry Number: 613575 Número CE: 230-711-3

GRAU & PUREZA Analytical standard, 10μg/ml in acetone

Synonyms

prometryn|7287-19-6|Prometryne|Gesagard|Caparol|Mercazin|Prometrex|Selectin|Uvon|Primatol Q|Promethryn|Mercasin|Merkazin|Polisin|Prometrin|Selektin|Sesagard|Gesagard 50|Gesagarde 50 Wp|Selectin 50|Caparol 80W|Promepin|1,3,5-Triazine-2,4-diamine, N,N'-bis(

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

prometryn | 7287-19-6 | Prometryne | Gesagard | Caparol | Mercazin | Prometrex | Selectin | Uvon | Primatol Q | Promethryn | Mercasin | Merkazin | Polisin | Prometrin | Selektin | Sesagard | Gesagard 50 | Gesagarde 50 Wp | Selectin 50 | Caparol 80W | Promepin | 1,3,5-Triazine-2,4-diamine, N,N'-bis(

Especificações e pureza

analytical standard, 10μg/ml in acetone

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528771900

Sorrisos canónicos

CC(C)NC1=NC(=NC(=N1)SC)NC(C)C

IUPAC Name

6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

InChIKey

AAEVYOVXGOFMJO-UHFFFAOYSA-N

INCHI

1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)

SMILES isoméricas

CC(C)NC1=NC(=NC(=N1)SC)NC(C)C

WGK Alemanha

2

RTECS

XY4390000

Número UN

3077

Grupo de embalagem

III

Peso molecular

241.36

Beilstein

613575

Reaxy-Rn

613575

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=613575&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylthio-s-triazines
• Alternative Parents: Alkyl-2-thio-S-triazines 1,3,5-triazine-2,4-diamines Secondary alkylarylamines N-aliphatic s-triazines Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylthio-s-triazine - 2,4-diamine-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Amino-1,3,5-triazine - Aminotriazine - Secondary aliphatic/aromatic amine - Alkylarylthioether - N-aliphatic s-triazine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as methylthio-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a methylthio group.
• External Descriptors: s-triazine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Alvos associados (não humanos)

Allium cepa (293 Activities)

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Gossypium hirsutum (233 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Malva sylvestris (32 Activities)

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Cyperus rotundus (46 Activities)

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Poa annua (183 Activities)

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Chenopodiastrum murale (32 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 118-120°C
• Peso molecular: 241.360 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 241.136 Da
• Monoisotopic Mass: 241.136 Da
• Topological Polar Surface Area: 88.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 182.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1