2-(Phenylsulfonyl)-1,3-cycloheptadiene - CAS 118160-44-4
Catalog: |
BB004061 |
Product Name: |
2-(Phenylsulfonyl)-1,3-cycloheptadiene |
CAS: |
118160-44-4 |
Synonyms: |
2-(benzenesulfonyl)cyclohepta-1,3-diene |
IUPAC Name: | 2-(benzenesulfonyl)cyclohepta-1,3-diene |
Description: | 2-(Phenylsulfonyl)-1,3-cycloheptadiene (CAS# 118160-44-4 ) is a useful research chemical. |
Molecular Weight: | 234.31 |
Molecular Formula: | C13H14O2S |
Canonical SMILES: | C1CC=CC(=CC1)S(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H14O2S/c14-16(15,13-10-6-3-7-11-13)12-8-4-1-2-5-9-12/h3-4,6-11H,1-2,5H2 |
InChI Key: | JBFCGKYPRPLNFA-UHFFFAOYSA-N |
Melting Point: | 60-64 °C(lit.) |
Purity: | 95 % |
MDL: | MFCD05664229 |
LogP: | 4.16510 |
Publication Number | Title | Priority Date |
US-2017217996-A1 | Large-scale diastereoselective syntheses of cycloheptadienylsulfones and stereotetrads | 20141007 |
US-2016015838-A1 | Vinylsulfone-based 18F-labeling Compositions and Methods and Uses Thereof | 20130308 |
WO-2014138720-A1 | Vinylsulfone-based 18f-labeling compositions and methods and uses thereof | 20130308 |
US-7501535-B2 | Chemical synthons and intermediates | 20020913 |
PMID | Publication Date | Title | Journal |
11777460 | 20020111 | Economical and environmentally friendly syntheses of 2-(phenylsulfonyl)-1,3-cyclohexadiene and 2-(phenylsulfonyl)-1,3-cycloheptadiene | The Journal of organic chemistry |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.07145086 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.07145086 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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