Brassilexin

CAT: 0931-T25174-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T25174-02Size:50 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 Number	119752-76-0
PubChem CID	135413564
IUPAC Name	4H-[1,2]thiazolo[5,4-b]indole
Molecular Formula	C9H6N2S
Molecular Weight	174.22
XLogP	2.8
Topological Polar Surface Area	56.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	185

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

CAS: 119752-76-0

CID: 135413564

Formula: C9H6N2S

MW: 174.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	174.22
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	174.02516937
Monoisotopic Mass	174.02516937
Topological Polar Surface Area	56.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	185
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-B676870-100MG	Brassilexin

Brassilexin

Chemical Information

Alternative Products

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