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Imibenconazole

CAT: 0013-GTR19242471-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242471-01Size:50 mg
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Description
Imibenconazole is a sulfonamide fungicide, the S-4-chlorobenzyl thioester of N- (2,4-dichlorophenyl) -2- (1H-1,2,4-triazol-1-yl) ethanesulfonamide. It is widely applied in agricultural research to control fungal pathogens in crops and is used in both in vitro antifungal assays and in vivo plant protection studies.
CAS Number
86598-92-7
Smiles
ClC1=CC=C (C=C1) CSC (=NC2=CC=C (Cl) C=C2Cl) CN3N=CN=C3
Molecular Formula
C17H13Cl3N4S
Molecular Weight
411.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Imibenconazole

Imibenconazole is a member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affecting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, a member of triazoles, a member of monochlorobenzenes, an imidothioate, a conazole fungicide and a triazole fungicide.

CAS Number86598-92-7
PubChem CID93483
IUPAC Name(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
Molecular FormulaC17H13Cl3N4S
Molecular Weight411.7
XLogP5.8
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity446
SMILES
C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl
InChI
InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
InChIKey
AGKSTYPVMZODRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imibenconazole
CAS: 86598-92-7
CID: 93483
Formula: C17H13Cl3N4S
MW: 411.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.7
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass409.992651
Monoisotopic Mass409.992651
Topological Polar Surface Area68.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-AZ-00201Imibenconazole
S-6107-MEOH1000 ug/mL Imibenconazole in Methanol - 1ML
LCS-61071000 ug/mL Imibenconazole in HPLC Acetonitrile - 1ML

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