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Brassilexin

CAT: 0931-T25174-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25174-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119752-76-0
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Brassilexin is a cyclobrassinin hydrolase inhibitor, a unique enzyme from the fungal pathogen Alternaria brassicicola.
Smiles
C=12C=3C(NC1SN=C2)=CC=CC3
Molecular Formula
C9H6N2S
Molecular Weight
174.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Brassilexin

Brassilexin is a member of indoles.

CAS Number119752-76-0
PubChem CID135413564
IUPAC Name4H-[1,2]thiazolo[5,4-b]indole
Molecular FormulaC9H6N2S
Molecular Weight174.22
XLogP2.8
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
C1=CC=C2C(=C1)C3=C(N2)SN=C3
InChI
InChI=1S/C9H6N2S/c1-2-4-8-6(3-1)7-5-10-12-9(7)11-8/h1-5,11H
InChIKey
NHMBEDDKDVIBQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brassilexin
CAS: 119752-76-0
CID: 135413564
Formula: C9H6N2S
MW: 174.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.22
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass174.02516937
Monoisotopic Mass174.02516937
Topological Polar Surface Area56.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
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
TRC-B676870-100MGBrassilexin

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