trans-1,2-Bis(phenylsulfonyl)ethylene - CAS 963-16-6
Catalog: |
BB041963 |
Product Name: |
trans-1,2-Bis(phenylsulfonyl)ethylene |
CAS: |
963-16-6 |
Synonyms: |
[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene |
IUPAC Name: | [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene |
Description: | trans-1,2-Bis(phenylsulfonyl)ethylene (CAS# 963-16-6) is useful for the synthesis of dysiherbaine and neodysiherbaine A. |
Molecular Weight: | 308.37 |
Molecular Formula: | C14H12O4S2 |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H/b12-11+ |
InChI Key: | YGBXMKGCEHIWMO-VAWYXSNFSA-N |
Boiling Point: | 545 °C at 760 mmHg |
Melting Point: | 221-223 °C (lit.) |
Purity: | > 98.0 % (LC) |
Density: | 1.355 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00066528 |
LogP: | 4.56700 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3013080-A1 | Nrf2 activating compounds and uses thereof | 20160203 |
EP-3411361-A1 | Nrf2 activating compounds and uses thereof | 20160203 |
JP-2019504084-A | NRF2 activating compounds and uses thereof | 20160203 |
US-10556881-B2 | Nrf2 activating compounds and uses thereof | 20160203 |
US-2017217922-A1 | Nrf2 Activating Compounds and Uses Thereof | 20160203 |
PMID | Publication Date | Title | Journal |
18613686 | 20080806 | Bis-sulfonyl ethylene as masked acetylene equivalent in catalytic asymmetric [3 + 2] cycloaddition of azomethine ylides | Journal of the American Chemical Society |
Complexity: | 473 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 308.01770121 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.01770121 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 85 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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