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Amisulbrom

CAT: 0013-GTR19201812-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201812-03Size:50 mg
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Description
Amisulbrom is a triazole-class fungicide used in agricultural research. It serves as a tool compound for studying fungicide resistance and mode of action, with applications in both in vitro enzymatic assays and in vivo plant protection studies against oomycete pathogens.
CAS Number
348635-87-0
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
CN (C) S (=O) (=O) n1cnc (n1) S (=O) (=O) n1c (C) c (Br) c2ccc (F) cc12
Molecular Formula
C13H13BrFN5O4S2
Molecular Weight
466.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amisulbrom

Amisulbrom is a member of the class of bromoindoles that is 3-bromo-6-fluoro-2-methylindole substituted at position 1 by a 1-(dimethylsulfamyl)-1,2,4-triazole-3-sulfonyl group. A fungicide for use on potatoes to control late blight (Phytophthora infestans) and downy mildew [Plasmopara viticola). It has a low mammalian toxicity but it is considered to be a reproduction toxicant, is moderately toxic to birds and honey bees but poses a greater risk to aquatic species and earthworms. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a sulfonamide, a member of triazoles, an organofluorine compound, a member of sulfamides, a bromoindole, a sulfonamide fungicide and a triazole fungicide.

CAS Number348635-87-0
PubChem CID10238657
IUPAC Name3-(3-bromo-6-fluoro-2-methylindol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
Molecular FormulaC13H13BrFN5O4S2
Molecular Weight466.3
XLogP2.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity741
SMILES
CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br
InChI
InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3
InChIKey
BREATYVWRHIPIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amisulbrom
CAS: 348635-87-0
CID: 10238657
Formula: C13H13BrFN5O4S2
MW: 466.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass464.95764
Monoisotopic Mass464.95764
Topological Polar Surface Area124 Ų
Heavy Atom Count26
Formal Charge0
Complexity741
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
A794915Amisulbrom
HY-121214RAmisulbrom (Standard)
AR-A06282-01Amisulbrom Impurity 1

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