Ethynyl p-tolyl sulfone - CAS 13894-21-8
Catalog: |
BB008875 |
Product Name: |
Ethynyl p-tolyl sulfone |
CAS: |
13894-21-8 |
Synonyms: |
1-ethynylsulfonyl-4-methylbenzene |
IUPAC Name: | 1-ethynylsulfonyl-4-methylbenzene |
Description: | Ethynyl p-tolyl sulfone (CAS# 13894-21-8) is a useful research chemical. |
Molecular Weight: | 180.22 |
Molecular Formula: | C9H8O2S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)C#C |
InChI: | InChI=1S/C9H8O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h1,4-7H,2H3 |
InChI Key: | FTHKWIMQNXVEHW-UHFFFAOYSA-N |
Boiling Point: | 297.9 °C at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 1.219 g/cm3 |
Appearance: | White to slightly pale yellow crystal |
MDL: | MFCD00191647 |
LogP: | 2.44020 |
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 |
CN-112321477-A | 3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application | 20201130 |
CN-109438309-A | A kind of Z-2- selenium cyanic acid ester group alkenyl aryl sulphones and its synthetic method | 20181214 |
AU-2018332145-A1 | Beta-hydroxy heterocyclic amines and their use in the treatment of hyperglycaemia | 20170913 |
CA-3075705-A1 | Beta-hydroxy heterocyclic amines and their use in the treatment of hyperglycaemia | 20170913 |
CN-111164072-A | β -hydroxy heterocyclic amines and their use in the treatment of hyperglycaemia | 20170913 |
PMID | Publication Date | Title | Journal |
22072332 | 20120114 | Asymmetric α-2-tosylethenylation of N,N-dialkyl-L-amino acid esters via the formation of non-racemic ammonium enolates | Organic & biomolecular chemistry |
19485413 | 20090702 | Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides | Organic letters |
21201661 | 20080806 | 1-[(4,5-Dimethyl-cyclo-hexa-1,4-dien-1-yl)sulfon-yl]-4-methyl-benzene | Acta crystallographica. Section E, Structure reports online |
17300931 | 20070401 | Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations | Bioorganic & medicinal chemistry letters |
17268665 | 20061001 | Ring-expansion of tertiary cyclic alpha-vinylamines by tandem conjugate addition to (p-toluenesulfonyl)ethyne and formal 3-aza-Cope rearrangement | Chemical communications (Cambridge, England) |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.02450067 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Sulfur Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS