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Tyrosinase-IN-2

CAT: 0931-T60278-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T60278-01Size:5 mg
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CAS Number
180864-33-9
Target
Tyrosinase
Related Pathways
Proteases/Proteasome
Purity
0.9978
Bioactivity
Tyrosinase-IN-2 (compound 67) is a potent inhibitor of tyrosinase, a copper-containing metalloenzyme crucial for the rate-limiting step in melanin biosynthesis and enzymatic browning processes. This compound shows promise for research into skin whitening agents and food preservatives [1].
Smiles
NC(=S)N\N=C\c1ccc(cc1)[N+]([O-])=O
Molecular Formula
C8H8N4O2S
Molecular Weight
224.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzaldehyde, p-nitro-, thiosemicarbazone
CAS Number180864-33-9
PubChem CID5711038
IUPAC Name[(E)-(4-nitrophenyl)methylideneamino]thiourea
Molecular FormulaC8H8N4O2S
Molecular Weight224.24
XLogP1.7
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity268
SMILES
C1=CC(=CC=C1/C=N/NC(=S)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
InChIKey
HSDCBIHJEGDMDO-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde, p-nitro-, thiosemicarbazone
CAS: 180864-33-9
CID: 5711038
Formula: C8H8N4O2S
MW: 224.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.24
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass224.03679668
Monoisotopic Mass224.03679668
Topological Polar Surface Area128 Ų
Heavy Atom Count15
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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