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

CAS: 130000-40-7 Cat. No.: BWY396755 Molecular Weight: 528.06 EC Number: 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

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

Specifications & Purity

100μg/mL in Hexane，Uncertainty 3%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F
• Molecular Weight: 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
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Molecular Weight: 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

References

1. Xin-He Yu, Jin Dong, Cheng-Peng Fan, Meng-Xi Chen, Min Li, Bai-Feng Zheng, Ya-Fang Hu, Hong-Yan Lin, Guang-Fu Yang.  (2023)  Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38035573] [10.1021/acs.jafc.3c05260]

2. Min Wang, Yajie Yue, Jingjing Zhang, Yifan Qin, Liyan Jia, Xu Jing.  (2024)  Dispersive liquid-liquid microextraction based on magnetic deep eutectic solvent for the determination of succinate dehydrogenase inhibitors in water, juice, wine, and vinegar.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106411]

3. Yajie Yue, Yawen Zhang, Yulin Wang, Xiaoning Wei, Yong Fang, Kasim Sakran Abass, Shu Qin, Xu Jing.  (2025)  Sodium alginate-fortified emulsive liquid-liquid microextraction for detecting succinate dehydrogenase inhibitor fungicides in water, juice, and wine.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40789397] [10.1016/j.ijbiomac.2025.146722]

4. Zhang Heng, Zhu Zhangling, Peng Mengqi, Liu Sijie, Gong Xiao, Chen Tian, Hu Qingwen, Li Linyun, Dun-zhu Zha-xi, Drol-ga Lha-zom, Sun Yi.  (2025)  Agricultural SDHIs Induce Azole Resistance in Aspergillus fumigatus via Mitochondrial Sdh1 Suppression.  MYCOPATHOLOGIA,  190  (5): (1-16).  [PMID:40952433] [10.1007/s11046-025-00992-0]

5. Longzhu Bao, Hexiang Wang, Yu Chen, Jie Deng, Fang Liu, Huailong Teng, Shaoyong Ke.  (2026)  Design of novel tryptamine-based SDHI fungicides inspired by rice phytoalexins: Antifungal activity evaluation and molecular mechanism.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:41629033] [10.1016/j.pestbp.2026.106965]