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

CAS: 7287-19-6 Cat. No.: P109356 Summenformel: C₁₀H₁₉N₅S Molekulargewicht: 241.36 Beilstein Registry Number: 613575 EG-Nummer: 230-711-3

QUALITÄT & REINHEIT 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

Spezifikationen

Synonyme

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(

Spezifikationen & Reinheit

analytical standard, 10μg/ml in acetone

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528771900

Kanonisches Lächeln

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)

Isomere SMILES

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

WGK Deutschland

2

RTECS

XY4390000

UN-Nummer

3077

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 118-120°C
• Molekulargewicht: 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