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Penthiopyrad 100mg

CAT: 0628-A21101-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A21101-100Size:100 mg
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CAS Number
183675-82-3

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
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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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