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Penthiopyrad

CAT: 0804-HY-17520-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17520-01Size:10 mg
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Description
Penthiopyrad (MTF-753) is a chiral carboxamide antifungal agent with a broad spectrum of fungicidal activity. Penthiopyrad can be used for controlling foliar and soil-borne plants diseases on a broad range of agricultural crops and turfgrass[1].
CAS Number
183675-82-3
Product Name Alternative
MTF-753
UNSPSC
12352005
Hazard Statement
H410
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Penthiopyrad.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CN(C)N=C1C(F)(F)F)NC2=C(C(C)CC(C)C)SC=C2
Molecular Formula
C16H20F3N3OS
Molecular Weight
359.41
Precautions
H410
References & Citations
[1]Zhengyi Liu, et al. Stereoselective degradation behavior of the novel chiral antifungal agrochemical penthiopyrad in soil. Environ Res. 2021 Mar;194:110680.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Penthiopyrad

1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is an aromatic amide obtained by formal condensation of the carboxy group of 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)thiophen-3-amine. It is a member of pyrazoles, a member of thiophenes, an organofluorine compound and an aromatic amide.

CAS Number183675-82-3
PubChem CID11388558
IUPAC Name1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
Molecular FormulaC16H20F3N3OS
Molecular Weight359.4
XLogP4
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity447
SMILES
CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
InChI
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)
InChIKey
PFFIDZXUXFLSSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Penthiopyrad
CAS: 183675-82-3
CID: 11388558
Formula: C16H20F3N3OS
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass359.12791793
Monoisotopic Mass359.12791793
Topological Polar Surface Area75.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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