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Thifluzamide Solution in Acetonitrile - 100μg/mL in Acetonitrile，Uncertainty 3%, high purity , CAS No.130000-40-7
Basic Description
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 Acetonitrile，Uncertainty 3%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
INCHI
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)
InChIKey
WOSNCVAPUOFXEH-UHFFFAOYSA-N
Smiles
CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
Citations of This Product
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,
71
(49):
(19396–19407).
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,
133
(106411).
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2 Citations