Penthiopyrad - analytical standard , CAS No.183675-82-3

CAS: 183675-82-3 Cat. No.: P132525 Peso molecular: 359.41 Beilstein Registry Number: 11343466 Número EC: 606-001-8 PubChem CID: 11388558

GRADE & PURITY Analytical standard

Synonyms

BBL100029 | C18482 | (rs)-n-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide | 4-(4,6-dimethoxy[1.3.5]triazin-2-yl)-4-methylmorpholinium chloride | AKOS015914702 | MFCD11973641 | 1H-PYRAZOLE-4-CARBOXAMIDE, N-(2-(1,3-DIM

Storage

Room temperature

Shipped In

Normal

Descripción general

Penthiopyrad(MTF-753) is a carboxamide fungicide used to control a broad spectrum of diseases on large variety of corps; inhibits fungal respiration by binding to mitochondrial respiratory complex II.

Specifications

Sinónimos

BBL100029 | C18482 | (rs)-n-[2-(1, 3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide | 4-(4, 6-dimethoxy[1.3.5]triazin-2-yl)-4-methylmorpholinium chloride | AKOS015914702 | MFCD11973641 | 1H-PYRAZOLE-4-CARBOXAMIDE, N-(2-(1, 3-DIM

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
• IUPAC Name: 1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
• InChIKey: PFFIDZXUXFLSSR-UHFFFAOYSA-N
• INCHI: 1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)
• Isómeros SMILES: CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
• WGK Alemania: 2
• PubChem CID: 11388558
• Peso molecular: 359.41
• Beilstein: 11343466

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Thiophenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole - Thiophene - Heteroaromatic compound - Carboximidic acid - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
• External Descriptors: Amide 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

Objetivos asociados (no humanos)

Oculimacula yallundae (312 Activities)

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Pyricularia grisea (1253 Activities)

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Puccinia recondita (281 Activities)

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Botrytis cinerea (4183 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Alternaria alternata (757 Activities)

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SDHD Succinate-ubiquinone oxidoreductase (9 Activities)

Discover Target: SDHD

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Cucurbita maxima x Cucurbita moschata (14 Activities)

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Podosphaera xanthii (125 Activities)

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Lagenaria siceraria (14 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 359.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 359.128 Da
• Monoisotopic Mass: 359.128 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 447.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Hui Liu, Mengqi Liu, Kuiyuan Chen, Mei Shan, Yongye Li.  (2023)  Fertilization can modify the enantioselective persistence of penthiopyrad in relation to the co-influence on soil ecological health.  ENVIRONMENTAL RESEARCH,      [PMID:36801231] [10.1016/j.envres.2023.115514]

2. Jiahui Yan, Haoyu Chen, Carlos F. Guimarães, Rui L. Reis, Zhihua Zhu, Tianyi Wang, Fenglan Zhang, Yaqian Lv, Qihui Zhou, Xiaoying Kong, Jinsheng Shi.  (2024)  Cu+/Ca2+ Dual-Overload Strategy Assisted by Metabolic-Symbiotic-Destruction for Tumor Apoptosis and Tumor Immune Activation.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202403245]

3. Jingyuan Wang, Ronggang Zhai, Yifan Ma, Haoyu Chen, Danyang Jing, Huaiyu Yang, Yi Wang.  (2025)  Development of morphology-dependent nanoselenium carriers for enhancing biological activity and reducing plant stress.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:39884017] [10.1016/j.ecoenv.2025.117804]

4. Lihao Guo, Shuxiang Xu, Xiaolin Tai, Li Wang, Gandong Zhou, Jie Yang, Taorui Yang, Yue Lin, Jianzhi Gao, Minghu Pan, Weiwei Wu, Miaomiao Yuan.  (2026)  2D MBene Nanosheets as Sonosensitizers for Ultrasound-Triggered Precision Cancer Therapy.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202529462]

5. Jiaxing Yang, Shouchun Xiao, Pengxi Li, Bingxue Li, Bingying He, Xueke Liu, Donghui Liu, Zhiqiang Zhou, Peng Wang.  (2026)  Enhanced Exposure Risk of Penthiopyrad S-Enantiomer: Insights into the Roles of Intestinal Absorption and CYP3A4-Mediated Metabolism.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41656700] [10.1021/acs.jafc.5c15984]