S,S'-[1,4-Phenylenebis(2,1-ethynediyl-4,1-phenylene)]bis(thioacetate) - CAS 267007-83-0
Catalog: |
BB019347 |
Product Name: |
S,S'-[1,4-Phenylenebis(2,1-ethynediyl-4,1-phenylene)]bis(thioacetate) |
CAS: |
267007-83-0 |
Synonyms: |
S-[4-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]phenyl]ethynyl]phenyl] ethanethioate |
Application: |
Thioacetate Deprotection Procedure. |
IUPAC Name: | S-[4-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]phenyl]ethynyl]phenyl] ethanethioate |
Description: | Thioacetate Deprotection Procedure. |
Molecular Weight: | 426.55 |
Molecular Formula: | C26H18O2S2 |
Canonical SMILES: | CC(=O)SC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)SC(=O)C |
InChI: | InChI=1S/C26H18O2S2/c1-19(27)29-25-15-11-23(12-16-25)9-7-21-3-5-22(6-4-21)8-10-24-13-17-26(18-14-24)30-20(2)28/h3-6,11-18H,1-2H3 |
InChI Key: | HTBKJDXAIPKGEY-UHFFFAOYSA-N |
Purity: | 97 % |
Appearance: | Powder |
Storage: | Keep cold. |
MDL: | MFCD16621452 |
LogP: | 5.76340 |
Publication Number | Title | Priority Date |
US-2006172126-A1 | Magnetically directed self-assembly of molecular electronic junctions | 20050128 |
US-2008090021-A1 | Magnetically directed self-assembly of molecular electronic junctions | 20050128 |
US-2008124550-A1 | Magnetically directed self-assembly of molecular electronic junctions | 20050128 |
US-7318962-B2 | Magnetically directed self-assembly of molecular electronic junctions comprising conductively coated ferromagnetic microparticles | 20050128 |
US-7482041-B2 | Magnetically directed self-assembly of molecular electronic junctions | 20050128 |
Complexity: | 658 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 426.07482216 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 426.07482216 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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