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

CAS: 2593-15-9 Cat. No.: E102737 Formula: C₅H₅Cl₃N₂OS Molecular Weight: 247.53 EC Number: 219-991-8

GRADE & PURITY Analytical standard

Synonyms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

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.

Specifications

Synonyms

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

Specifications & Purity

analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

3

RTECS

XI3875000

UN Number

2810

Molecular Weight

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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 310.1 °F
• Flash Point(°C): 154°C
• Molecular Weight: 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