3986-98-9

Basic information

• Product Name: 2H-1-Benzopyran-2-thione
• Synonyms: 2-Chromenethione;2H-1-Benzopyran-2-thione
• CAS NO: 3986-98-9
• Molecular Formula: C₉H₆OS
• Molecular Weight: 162.2083
• Mol File: 3986-98-9.mol
• Article Data: 17

Chemical Properties

• Melting Point: 97 °C
• Boiling Point: 250.6°Cat760mmHg
• Flash Point: 105.3°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 0.034mmHg at 25°C
• Refractive Index: 1.682
• CAS DataBase Reference: 2H-1-Benzopyran-2-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-1-Benzopyran-2-thione(3986-98-9)
• EPA Substance Registry System: 2H-1-Benzopyran-2-thione(3986-98-9)

Safety Data

• Hazardous Substances Data: 3986-98-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H

Upstream product

• 614-60-8 o-Coumaric acid 
• 91-64-5 coumarin 
• 12086-84-9 benzothiaferrole 
• 119-84-6 C₆H₄(CH₂CH₂C(O)O) 
• 5703-63-9 3,4-dihydro-2H-[1]benzopyran-2-thione 
• 74-88-4 methyl iodide 
• 1745-81-9 o-Allylphenol 

Downstream Products

• 3937-40-4 triphenyl arsine sulfide 
• 75424-92-9 2-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-2H-chromene 
• 75424-89-4 2-[1-Phenyl-meth-(Z)-ylidene]-2H-chromene 
• 2963-66-8 2-(2'-Hydroxyphenyl)benzimidazole 
• 91-64-5 coumarin 
• 224300-40-7 C₃₄H₂₈N₂O₂S₂ 
• 231290-35-0 4-Nitro-thiobenzoic acid chromen-(2E)-ylidene-hydrazide 
• 231290-33-8 Thiobenzoic acid chromen-(2E)-ylidene-hydrazide 

Relevant articles and documents

New chemotypes acting as isozyme-selective carbonic anhydrase inhibitors with low affinity for the offtarget cytosolic isoform II

Considering phenols and coumarins as lead molecules for obtaining non-sulfonamide inhibitors of carbonic anhydrases (CAs, EC 4.2.1.1), we screened a large number of compounds possessing diverse chemotypes, but structural features which resemble the two chemical classes. Here we report an investigation of such derivatives which do not significantly inhibit CA II, but show interesting inhibition profiles against other isozymes. Pyridine-N-oxide-2-thiophenol, thiobenzoic acid, thimerosal, two oximes derived from a six-membered-ring lactone and from coumarin; 2-hydroxyquinoline and coumaphos, were investigated as inhibitors of CA I-XIV. All these compounds did not inhibit CA II, whereas the two oximes and 2-hydroxyquinoline were low nanomolar inhibitors of CA I, IX, XII, XIII and XIV, showing a very different inhibition profile compared to sulfonamides and sulfamates. Some other compounds showed low micromolar inhibition of other isoforms of interest, such as CA VA/VB, CA VI and VII. This study demonstrates that a rather wide range of structures show low nanomolar - micromolar inhibitory activity against many CA isozymes, without inhibiting significantly the offtarget isoform CA II.

Modification of organic compounds with Lawesson's reagent

Application in organic synthesis of Lawesson's reagent, 2,4-bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide, provides a possibility to replace an oxygen atom for a sulfur atom in the carbonyl group of ketones, esters, amides, in ether group, and also either to induce a rearrangement of the initial structure of organic compounds with or without inclusion of sulfur atoms or to lead to the formation of various types of organophosphorus compounds. The formed organosulfur compounds exhibit a wide range of biological action.

P4S10/dimethicone tandem: Efficient reagent for thionation of various aromatic amides and esters

Organosulfur compounds are valuable because of their rich and varied chemistry especially in biological field. We report a new and efficient way for thionation of various aromatic amides and esters using P4S 10/ dimethicone tandem. The ease of handling and higher yield makes this protocol economical.