Etridiazole - analytical standard , CAS No.2593-15-9

CAS: 2593-15-9 Cat. No.: E102737 Formule: C₅H₅Cl₃N₂OS Poids moléculaire: 247.53 Numéro CE: 219-991-8

QUALITÉ & PURETÉ Analytical standard

Synonyms

Echlomezol|Echlomezole|Etridiazol|Ethazol5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Etridiazole is a fungicide, which is found to be effective against the oomycete group of fungi. It is used for seed treatment of various crops, in cotton cultivation during planting stage and non-bearing coffee and citrus fruits by horticultural nurseries.

Spécifications

Synonymes

Echlomezol | Echlomezole | Etridiazol | Ethazol5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Analytical standard

Noms et identifiants

Sourires canoniques

CCOC1=NC(=NS1)C(Cl)(Cl)Cl

IUPAC Name

5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

InChIKey

KQTVWCSONPJJPE-UHFFFAOYSA-N

INCHI

1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3

Isomères SMILES

CCOC1=NC(=NS1)C(Cl)(Cl)Cl

WGK Allemagne

3

RTECS

XI3875000

Numéro ONU

2810

Poids moléculaire

247.53

Reaxy-Rn

1074817

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1074817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• External Descriptors: Pesticides

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): 310.1 °F
• Point d'éclair (°C): 154°C
• Poids moléculaire: 247.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 245.919 Da
• Monoisotopic Mass: 245.919 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 154.000
• 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