Allyl phenyl sulfone - CAS 16212-05-8
Catalog: |
BB011836 |
Product Name: |
Allyl phenyl sulfone |
CAS: |
16212-05-8 |
Synonyms: |
prop-2-enylsulfonylbenzene |
IUPAC Name: | prop-2-enylsulfonylbenzene |
Description: | Allyl phenyl sulfone (CAS# 16212-05-8) is a useful research chemical compound. |
Molecular Weight: | 182.24 |
Molecular Formula: | C9H10O2S |
Canonical SMILES: | C=CCS(=O)(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2 |
InChI Key: | KYPIULIVYSQNNT-UHFFFAOYSA-N |
Boiling Point: | 110-113 °C (0.5 mmHg) |
Purity: | > 95.0 % (GC) |
Density: | 1.189 g/cm3 |
Appearance: | Clear colourless to faintly yellow liquid |
Storage: | 2-8 °C |
MDL: | MFCD00014739 |
LogP: | 2.72710 |
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 |
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PMID | Publication Date | Title | Journal |
20098605 | 20091124 | Total synthesis and absolute configuration of the marine norditerpenoid xestenone | Marine drugs |
14969516 | 20040225 | Quantitative determination of allicin in garlic: supercritical fluid extraction and standard addition of alliin | Journal of agricultural and food chemistry |
14629162 | 20031128 | Stereospecific rearrangements during the synthesis of pyrrolidines and related heterocycles from cyclizations of amino alcohols with vinyl Sulfones | The Journal of organic chemistry |
12467140 | 20020101 | Induction of histone acetylation and inhibition of growth of mouse erythroleukemia cells by S-allylmercaptocysteine | Nutrition and cancer |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.04015073 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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