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C20H22CuN6O2S2 structure
Fine Chemical

C20H22CuN6O2S2

TL;DR: C20H22CuN6O2S2 (CAS 123988-72-7) is a chemical compound with molecular formula C20H22CuN6O2S2 and molecular weight 505.05417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

copper N'-[(4-methoxyphenyl)methyl]-N-[[(2E)-2-[[N-[(4-methoxyphenyl)methyl]-C-sulfidocarbonimidoyl]hydrazinylidene]ethylidene]amino]carbamimidothioate

Also Known As: Copper, ((2,2'-(1,2-ethanediylidene)bis(N-((4-methoxyphenyl)methyl)hydrazinecarbothioamidato))(2-)-N(sup 2),N(sup 2'),S,S')-, (SP-4-2)-, Copper, ((2,2'-(1,2-ethanediylidene)bis(N-((4-methoxyphenyl)methyl)hydrazinecarbothioamidato))(2-)-N2,N2',S,S')-, (SP-4-2)-

CAS Number
123988-72-7
Molecular Formula
C20H22CuN6O2S2
Molecular Weight
505.05417 g/mol
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Technical Specifications

Molecular FormulaC20H22CuN6O2S2
Molecular Weight505.05417 g/mol
XLogP2.3581
Topological Polar Surface Area (TPSA)94.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors8
Rotatable Bonds11
Exact Mass505.05417 Da
Heavy Atoms31
Complexity546.0
SMILESCOC1=CC=C(C=C1)CN=C(NN=C/C=N/NC(=NCC2=CC=C(C=C2)OC)[S-])[S-].[Cu+2]
InChIKeyODJOLPIEAWZLMC-PQWNGSORSA-L

Chemical Property Profile of C20H22CuN6O2S2

XLogP
2.3581
TPSA (Topological Polar Surface Area)
94.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
Rotatable Bonds
11
Heavy Atoms
31
Complexity
546.0
Exact Mass
505.05417
Monoisotopic Mass
505.05417
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of C20H22CuN6O2S2

The XLogP value of 2.3581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22CuN6O2S2. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H22CuN6O2S2. Following Lipinski's Rule of Five, C20H22CuN6O2S2 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of C20H22CuN6O2S2?

The CAS number of C20H22CuN6O2S2 is 123988-72-7.

What is the molecular formula of C20H22CuN6O2S2?

The molecular formula of C20H22CuN6O2S2 is C20H22CuN6O2S2.

What is the molecular weight of C20H22CuN6O2S2?

The molecular weight of C20H22CuN6O2S2 is 505.05417 g/mol.

Where can I buy C20H22CuN6O2S2?

You can request a quote for C20H22CuN6O2S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for C20H22CuN6O2S2?

Yes, CoreyChem provides custom synthesis services for C20H22CuN6O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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