Products for Research Use Only
RegisterLogin

Imibenconazole

CAT: 0013-GTR19242471-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19242471-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
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
Loading 3D structure...
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

Popular Products