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Antifungal agent 20

CAT: 0804-HY-132968Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-132968Size:1 Each
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Description
Antifungal agent 20 exhibits remarkable antifungal activity against Colletotrichum gloeosprioides, Rhizoctonia solani, Phytophthora nicotianae var. nicotianae, Diplodia pinea, Colletotrichum acutatum, and Fusarium oxysporum f. sp. niveum.
CAS Number
2460281-94-9
UNSPSC
12352211
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antifungal-agent-20.html
Solubility
10 mM in DMSO
Smiles
C/C(C)=C\CC/C(C)=C/C=N/NC(N)=S
Molecular Formula
C11H19N3S
Molecular Weight
225.35
References & Citations
[1]Zhang L, et al. Novel Citral-thiazolyl Hydrazine Derivatives as Promising Antifungal Agents against Phytopathogenic Fungi. J Agric Food Chem. 2021 Nov 22.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Citral thiosemicarbazone
CAS Number2460281-94-9
PubChem CID9570627
IUPAC Name[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]thiourea
Molecular FormulaC11H19N3S
Molecular Weight225.36
XLogP2.8
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity286
SMILES
CC(=CCC/C(=C/C=N/NC(=S)N)/C)C
InChI
InChI=1S/C11H19N3S/c1-9(2)5-4-6-10(3)7-8-13-14-11(12)15/h5,7-8H,4,6H2,1-3H3,(H3,12,14,15)/b10-7+,13-8+
InChIKey
OVUJOZUSCSTKGA-OOHIBURESA-N
Chemical Structure
2D Structure
2D structure of Citral thiosemicarbazone
CAS: 2460281-94-9
CID: 9570627
Formula: C11H19N3S
MW: 225.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.36
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass225.12996879
Monoisotopic Mass225.12996879
Topological Polar Surface Area82.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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