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

CAS: 183675-82-3 Cat. No.: P132525 Summenformel: C₁₆H₂₀F₃N₃OS Molekulargewicht: 359.41 Beilstein Registry Number: 11343466 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528770786

Kanonisches Lächeln

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)

Isomere SMILES

CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C

WGK Deutschland

2

PubChem CID

11388558

Molekulargewicht

359.41

Beilstein

11343466

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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