Thifluzamide Solution in Hexane - 100μg/mL in Hexane，Uncertainty 3% , CAS No.130000-40-7

CAS: 130000-40-7 Cat. No.: BWY396755 Formule: C₁₃H₆Br₂F₆N₂O₂S Poids moléculaire: 528.06 Numéro CE: 603-378-0

GRADE & PURITY 100μg/mL in Hexane，Uncertainty 3%

Synonyms

C18505 | 5-Cyano-2-nitrothiophene | CHEBI:81794 | Thifluzamide [ISO] | Thifluzamide 10 microg/mL in Cyclohexane | N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide | Thifluzamide 10 microg/mL in Acetonitrile | M

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

C18505 | 5-Cyano-2-nitrothiophene | CHEBI:81794 | Thifluzamide [ISO] | Thifluzamide 10 microg/mL in Cyclohexane | N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide | Thifluzamide 10 microg/mL in Acetonitrile | M

Spécifications et pureté

100μg/mL in Hexane，Uncertainty 3%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Noms et identifiants

Pubchem Sid

528772323

Sourires canoniques

CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F

IUPAC Name

N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

InChIKey

WOSNCVAPUOFXEH-UHFFFAOYSA-N

INCHI

1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)

Isomères SMILES

CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F

Poids moléculaire

528.06

Reaxy-Rn

11004210

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11004210&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidic acids Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organopnictogen compounds Organobromides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Trihalomethane - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Organic nitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Halomethane - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
• External Descriptors: Thiazole fungicides

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

Propriétés chimiques et physiques

• Poids moléculaire: 528.060 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 527.84 Da
• Monoisotopic Mass: 525.842 Da
• Topological Polar Surface Area: 79.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 512.000
• 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