Prothioconazole - ≥97% , CAS No.178928-70-6

CAS: 178928-70-6 Cat. No.: P331163 분자식: C₁₄H₁₅Cl₂N₃O 분자량: 344.26 EC 번호: 605-841-2 PubChem CID: 6451142

등급 & 순도 ≥97%

Synonyms

2-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazole-3(2H)-thione|Prothioconazole (2-(2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione)|2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione|(RS)-2-(2-(1-CHLOROCYCLOPROPYL)-3-(2-CHLOROPHENYL)-2-HYDROXYPROPYL)-2,4-DIHYDRO-1,2,4-TRIAZOLE-3-THIONE|2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione|2-[2-(1-Chloro-cyclopropyl)-3-(2-chlorophenyl)-2-hydroxy-propyl]-1,2-dihydro-3H-1,2,4-Triazol-3-thione;2-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazole-3(2H)-thione|2-(1-chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(5-mercapto-1 ,2,4-triazol-1-yl)-propan-2-ol|2-(1-chloro-cyclopropyl)-1-(2-chloro-phenyl)-3-(5-mercapto-1,2,4-triazol-1-yl)-propan-2-ol|PROTHIOCONAZOLE [MI]|3-[(2-hydroxyethyl)(3-methylphenyl)amino]-propanenitrile|2-(2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione|PROLINE 480 SC Fungicide|Prothioconazole|2-(1-chloro-cyclopropyl)-1(2-chlorophenyl)-3-(5-mercapto-1,2,4-triazol-1-yl)-propan-2-ol|2-(1-chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(5-mercapto-1,2,4-triazol-1-yl)-propan-2-ol|JAU 6476|Prothioconazole [ISO:BSI]|2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxy-propyl]-4H-1,2,4-triazole-3-thione|JAU-6476|3H-1,2,4-TRIAZOLE-3-THIONE, 2-(2-(1-CHLOROCYCLOPROPYL)-3-(2-CHLOROPHENYL)-2-HYDROXYPROPYL)-1,2-DIHYDRO-|2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione|PROTHIOCONAZOLE [ISO]

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Prothioconazole is a cyclopropane-containing triazole compound with antifungal effects. Prothioconazole is described to be a demethylase inhibitor and was found to be a competitive inhibitor of substrate binding at|M. graminicola|CYP51, separating its action from the noncompetitive inhibition of other azole compounds.

사양

동의어

2-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazole-3(2H)-thione | Prothioconazole (2-(2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione) | 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione | (RS)-2-(2-(1-CHLOROCY Show more

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504764210

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764210

정식 스마일

C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl

IUPAC Name

2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione

InChIKey

MNHVNIJQQRJYDH-UHFFFAOYSA-N

INCHI

1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)

이성체 SMILES

C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl

PubChem CID

6451142

UN 번호

3077

포장 그룹

III

분자량

344.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Triazolines Triazoles Tertiary alcohols Heteroaromatic compounds Chlorohydrins Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Azole - Triazoline - Heteroaromatic compound - 1,2,4-triazole - Tertiary alcohol - Chlorohydrin - Halohydrin - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: Conazole 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

관련 대상(비인간)

Oculimacula yallundae (312 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fusarium graminearum (1554 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive
• 녹는점(°C): 136-142℃
• 분자량: 344.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 343.031 Da
• Monoisotopic Mass: 343.031 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 458.000
• 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

자주 묻는 질문

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 178928-70-6, the molecular formula is C14H15Cl2N3OS, and the molecular weight is 344.26 g/mol. InChIKey MNHVNIJQQRJYDH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.