Phenyl Vinyl Sulfone - CAS 5535-48-8
Catalog: |
BB029007 |
Product Name: |
Phenyl Vinyl Sulfone |
CAS: |
5535-48-8 |
Synonyms: |
(Ethenylsulfonyl)benzene; Ethenyl Phenyl Sulfone; NSC 35394; URI 744; Vinylsulfonylbenzene |
IUPAC Name: | ethenylsulfonylbenzene |
Description: | Phenyl Vinyl Sulfone (CAS# 5535-48-8) is a synthetic inhibitor of cysteine protease and has antihelminthic and antiprotozoal properties. Phenyl Vinyl Sulfone is also an inhibitor of transpeptidase SrtA required for cell wall protein anchoring and virulence in Staphylococcus aureus. |
Molecular Weight: | 168.21 |
Molecular Formula: | C8H8O2S |
Canonical SMILES: | C=CS(=O)(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2 |
InChI Key: | UJTPZISIAWDGFF-UHFFFAOYSA-N |
Boiling Point: | 314.4 °C at 760 mmHg |
Melting Point: | 67-70 °C |
Purity: | 95 % |
Density: | 1.177 g/cm3 |
Solubility: | Soluble in Chloroform, Methanol |
Appearance: | White solid |
Storage: | Store at -20 °C, Under inert atmosphere |
MDL: | MFCD00007554 |
LogP: | 2.68460 |
GHS Hazard Statement: | H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22675651 | 20120101 | Comparative pathogenomics of bacteria causing infectious diseases in fish | International journal of evolutionary biology |
22219900 | 20111101 | (Phen-yl)(3-phenyl-sulfonyl-1,2-dihydro-pyrrolo-[1,2-a]quinoxalin-1-yl)methanone | Acta crystallographica. Section E, Structure reports online |
21754382 | 20110501 | 2,6-Dichloro-1-[(1E)-2-(phenyl-sulfon-yl)ethen-yl]benzene | Acta crystallographica. Section E, Structure reports online |
20738089 | 20100922 | Michael acceptor-containing coenzyme A analogues as inhibitors of the atypical coenzyme A disulfide reductase from Staphylococcus aureus | Journal of the American Chemical Society |
19596863 | 20090925 | Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl | The Journal of biological chemistry |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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