S-[4-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl] thioacetate - CAS 356590-07-3
Catalog: |
BB022719 |
Product Name: |
S-[4-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl] thioacetate |
CAS: |
356590-07-3 |
Synonyms: |
S-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate |
Application: |
Thioacetate Deprotection Procedure. |
IUPAC Name: | S-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate |
Description: | Thioacetate Deprotection Procedure. |
Molecular Weight: | 352.45 |
Molecular Formula: | C24H16OS |
Canonical SMILES: | CC(=O)SC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3 |
InChI: | InChI=1S/C24H16OS/c1-19(25)26-24-17-15-23(16-18-24)14-13-22-11-9-21(10-12-22)8-7-20-5-3-2-4-6-20/h2-6,9-12,15-18H,1H3 |
InChI Key: | ZWLJTQTZLWBSFY-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD16621453 |
LogP: | 5.12480 |
Publication Number | Title | Priority Date |
WO-2020264257-A1 | Additives for coloring agents and methods of use thereof | 20190628 |
US-2019254955-A1 | Covalent treatment with thiols of keratin-containing materials | 20180220 |
WO-2019164841-A1 | Covalent treatment with thiols of keratin-containing materials | 20180220 |
AU-2019223950-A1 | Covalent treatment with thiols of keratin-containing materials | 20180220 |
CN-112040926-A | Covalent treatment of keratin-containing materials with thiols | 20180220 |
Complexity: | 587 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 352.0921863 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 352.0921863 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.3 |
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