Propyl propane thiosulfonate

Base Information

• Chemical Name: Propyl propane thiosulfonate
• CAS No.: 1113-13-9
• Molecular Formula: C6H14O2S2
• Molecular Weight: 182.308
• Hs Code.: 2930909090
• UNII: H5E892YJGG
• DSSTox Substance ID: DTXSID00149584
• Wikidata: Q27279665
• Mol file: 1113-13-9.mol

Synonyms:1113-13-9;1-Propanesulfonothioic acid, S-propyl ester;Propyl propane thiosulfonate;S-Propyl propane-1-sulfonothioate;1-propylsulfonylsulfanylpropane;Proallium SO DMC;S-Propyl propanethiosulfonate;FEMA No. 4263;Propyl propane thiosulfonate [FHFI];UNII-H5E892YJGG;H5E892YJGG;1-Propanesulfonic acid, thio-, S-propyl ester;PROPANETHIOSULFONIC ACID S-PROPYL ESTER;S-Propylpropanethiosulfonate;1-propylsulonylsulanylpropane;SCHEMBL2547322;DTXSID00149584;CHEBI:169584;AMY21457;AKOS028108678;S-PROPYL 1-PROPANESULFONOTHIOATE;F87309;A934203;Q27279665

Chemical Property of Propyl propane thiosulfonate

Chemical Property:

• Boiling Point: 120 °C(Press: 4 Torr)
• PSA: 67.82000
• Density: 1.121±0.06 g/cm3(Predicted)
• LogP: 2.95020
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.04352203
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSS(=O)(=O)CCC

Technology Process of Propyl propane thiosulfonate

There total 10 articles about Propyl propane thiosulfonate 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: 96.0%

Dipropyl disulfide (629-19-6) → propyl propylthiosulfonate (1113-13-9)

Guidance literature:

With dinitrogen tetraoxide; pyrographite; In dichloromethane; at 20 ℃; for 0.25h;

Reference yield: 87.7%

1-thiopropane (107-03-9) → propyl propylthiosulfonate (1113-13-9)

Guidance literature:

With dihydrogen peroxide; potassium bromide; In water; acetone; at 40 ℃; for 4h; Reagent/catalyst; Temperature;

Reference yield: 87.0%

propane-1-sulfinyl chloride (23267-68-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → propyl propylthiosulfonate (1113-13-9) + Propanethiosulfonic acid S-(1-chloro-propyl) ester (85532-05-4)

Guidance literature:

at 22 - 24 ℃; for 24h;

DOI:10.1055/s-1984-30881

upstream raw materials:

propyl propylthiosulfinate

propene

propane-1-sulfinic acid

propane-1-sulfinyl chloride

Refernces

• 1、 Iranpoor, Nasser,Mohajer, Daryoush,Rezaeifard, Abdol-Reza. "Rapid and highly chemoselective biomimetic oxidation of organosulfur compounds with tetrabutylammonium peroxymonosulfate in the presence of manganese meso-tetraphenylporphyrin and imidazole". . p. 3811 - 3815. Retrieved 2004.
• 2、 Freeman,F.,Angeletakis,C.N.. "-". . p. 4194. Retrieved 1982.
• 3、 Yuan, Bingxiang,Jiang, Yong,Qi, Zhenjie,Guan, Xin,Wang, Ting,Yan, Rulong. "External Oxidant-Free Oxidative Tandem Cyclization: NaI-Catalyzed Thiolation for the Synthesis of 3-Thiosubstituted Pyrroles". supporting information. p. 5112 - 5117. Retrieved 2019/11/11.
• 4、 Iranpoor, Nasser,Firouzabadi, Habib,Pourali, Ali-Reza. "Dinitrogen Tetroxide Impregnated Activated Charcoal (N2O 4/Charcoal): Selective Oxidation of Sulfides to Sulfoxides and Bisulfides to Thiosulfonates". . p. 347 - 349. Retrieved 2007/10/03.