Sodium benzenethiolate

Base Information

• Chemical Name: Sodium benzenethiolate
• CAS No.: 930-69-8
• Deprecated CAS: 24339-77-3,50729-67-4,89598-95-8,1948274-64-3,89598-95-8
• Molecular Formula: C6H6S.Na
• Molecular Weight: 132.161
• Hs Code.: 29309090
• European Community (EC) Number: 213-224-0
• UNII: 75GF5O2O8Y
• DSSTox Substance ID: DTXSID1027342
• Nikkaji Number: J28.470J
• Wikidata: Q27266385
• ChEMBL ID: CHEMBL3182565
• Mol file: 930-69-8.mol

Synonyms:Sodium thiophenolate;SODIUM BENZENETHIOLATE;930-69-8;Sodium thiophenoxide;Benzenethiol, sodium salt;Sodium phenylthiolate;Thiophenol sodium salt;Sodium thiophenylate;sodium;benzenethiolate;Sodium phenylsulfide;Benzenethiol sodium salt;Thiophenyl sodium salt;Sodium phenylmercaptide;UNII-75GF5O2O8Y;75GF5O2O8Y;DTXSID1027342;HSDB 5771;Benzenethiol, sodium salt (1:1);EINECS 213-224-0;DTXCID307342;CAS-930-69-8;sodiothiobenzene;sodium benzenthiolate;sodium phenyl mercaptide;C6H6S.Na;C6-H6-S.Na;SCHEMBL425159;CHEMBL3182565;RZWQDAUIUBVCDD-UHFFFAOYSA-M;BCP14418;Tox21_201620;Tox21_303102;MFCD00066460;SODIUM BENZENETHIOLATE [HSDB];AKOS015833652;NCGC00257219-01;NCGC00259169-01;BP-30118;Sodium thiophenolate, technical grade, 90%;CS-0047716;FT-0633123;Sodium thiophenolate, purum, >=96.5% (RT);Q27266385

Chemical Property of Sodium benzenethiolate

Chemical Property:

• Vapor Pressure: 2.07mmHg at 25°C
• Melting Point: >300 °C
• Boiling Point: 169.1°C at 760mmHg
• Flash Point: 50.6°C
• PSA: 25.30000
• Density: 1.079g/cm³
• LogP: 2.24300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.00096561
• Heavy Atom Count: 8
• Complexity: 50.5

Purity/Quality:

99%, ^*data from raw suppliers

SodiumBenzenethiolate(technicalgrade,90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: C1=CC=C(C=C1)[S-].[Na+]
• Uses: Sodium thiophenolate has been used for the synthesis of MCoTI-I and MCoTI-II cyclotides, which are naturally-occurring cyclic cystine-knot microprotein trypsin inhibitors. It may be employed in the following studies:As probe for the immunoassay and for the detection of label-free protein by surface-enhanced Raman scattering (SERS).Preparation of new cyclometalated 6-phenyl-4-(p-R-phenyl)-2,2′-bipyridyl (C--N--N)Pt(II) thiophenolate complexes.Synthesis of 1,3,5,7,9-pentakis(4-methoxyphenylthio)corannulene, 1,3,5,7,9-pentakis(2-naphthylthio)corannulene and 1,3,6,8-tetrakis(4-methoxyphenylthio)corannulene.Synthesis of Et4N+ salts of homoleptic arylthiolate Ti(IV) complex, [Ti(SPh)6]2-.

Technology Process of Sodium benzenethiolate

There total 24 articles about Sodium benzenethiolate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

thiophenol (108-98-5) → sodium thiophenolate (930-69-8)

Guidance literature:

With sodium methylate; In methanol; at 45 ℃;

DOI:10.1002/zaac.201400492

Reference yield: 81.0%

S-phenyl thioacetate (934-87-2) → sodium thiophenolate (930-69-8)

Guidance literature:

With sodium thiomethoxide; In methanol; at 23 ℃; for 0.5h;

DOI:10.1016/S0040-4039(98)00421-3

Reference yield:

thiophenol (108-98-5) → sodium thiophenolate (930-69-8) + diphenyldisulfane (882-33-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1002/poc.610070206

upstream raw materials:

isopropylthiobenzene

thiophenol

diphenyldisulfane

diphenylthiophosphinic acid-S-phenyl ester

Downstream raw materials:

2,4-bis(phenylthio)nitrobenzene

(5-chloro-2,4-dinitro-phenyl)-phenyl sulfide

1,5-dinitro-2,4-bis(phenylsulfanyl)benzene

4-benzenesulfonyl-1-nitro-2-phenylsulfanyl-benzene

Refernces

Stereoselective Glucal Epoxide Formation

10.1021/jo00066a032

The research focuses on the stereoselective formation of glucal epoxides, which are crucial intermediates in the synthesis of oligosaccharides and other carbohydrate derivatives. The study aimed to find an alternative approach to the existing method of dimethyldioxirane (DMD) oxidation, which has limitations such as the need for rigorous drying and difficulty in scaling up. The researchers explored the cyclization of bromohydrins as a route to glucal epoxide formation, using chemicals such as N-bromoacetamide (NBA), sodium hydride (NaH), potassium hydride (KH), 18-crown-6, sodium phenylthiolate, sodium azide, methoxide, and benzyloxide. They observed that the reaction conditions significantly affected the diastereoselectivity of the epoxide formation, leading to different ratios of a-manno and β-gluco products. The study concluded that the formation and cyclization of bromohydrins offer an alternative route for glucal epoxide synthesis, with potential applications to other carbohydrate substrates, and highlighted the importance of metal ions and solvents in modifying the relative reactivities of the anomeric alkoxides, which influence the stereoselectivity of the cyclization process.

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