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Laccase-IN-6

CAT: 0804-HY-178189Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178189Size:1 Each
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Description
Laccase-IN-6 is a laccase inhibitor with an IC50 of 0.097 nM. Laccase-IN-6 exhibits broad-spectrum anti-fungal effect and can destroy the normal morphology of the fungi. Laccase-IN-6 can be used for the research of infection[1].
CAS Number
23750-08-5
UNSPSC
12352100
Target
Fungal
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
FC(F)(C1=CC(NC(NCCCCC)=S)=CC(C(F)(F)F)=C1)F
Molecular Formula
C14H16F6N2S
Molecular Weight
358.35
References & Citations
[1]Huang Y, et al. Research on Novel Laccase Inhibitors with Thiourea as the Core Skeleton As Potential Fungicides. J Agric Food Chem. 2025 Sep 24;73 (38) :23881-23893.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-[3,5-Bis(trifluoromethyl)phenyl]-3-pentylthiourea
CAS Number23750-08-5
PubChem CID127084545
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-pentylthiourea
Molecular FormulaC14H16F6N2S
Molecular Weight358.35
XLogP5.1
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity360
SMILES
CCCCCNC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H16F6N2S/c1-2-3-4-5-21-12(23)22-11-7-9(13(15,16)17)6-10(8-11)14(18,19)20/h6-8H,2-5H2,1H3,(H2,21,22,23)
InChIKey
QIFDDWLCZZORFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-pentylthiourea
CAS: 23750-08-5
CID: 127084545
Formula: C14H16F6N2S
MW: 358.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.35
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass358.09383866
Monoisotopic Mass358.09383866
Topological Polar Surface Area56.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity360
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

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