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Chemical structure of Tiafenacil

GC63227

Tiafenacil

Also known as methyl 3-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfanylpropanoylamino]propanoate

Tiafenacil is a new protoporphyrinogen IX oxidase (PPO)-inhibiting herbicide, with IC50 values of 22 to 28 nM for various plant species, including amaranth (Amaranthus tuberculatus), soybean (Glycine max), arabidopsis (Arabidopsis thaliana), and rapeseed (Brassica napus)

ChemicalCAS1220411-29-9MW511.87FormulaC19H18ClF4N3O5S
CAS number
1220411-29-9
Molecular weight
511.87
Formula
C19H18ClF4N3O5S
Solubility
DMSO ： 100 mg/mL (195·36 mM; Need ultrasonic)
InChIKey
QPTPZPIXUPELRM-UHFFFAOYSA-N
Catalogue number
GC63227
Brand
GLPBIO
Computed properties PubChem CID 67295585 · XLogP 2.7 · TPSA 121 Ų · H-bond donors 1
XLogP
2.7
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
33

SMILES CC(C(=O)NCCC(=O)OC)SC1=C(C=C(C(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)F)Cl

Computed descriptors from PubChem (CID 67295585), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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