Acetic acid, bis(ethylthio)-

Base Information

• Chemical Name: Acetic acid, bis(ethylthio)-
• CAS No.: 10490-06-9
• Molecular Formula: C6H12O2S2
• Molecular Weight: 180.292
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50482256
• Wikidata: Q82318395
• Mol file: 10490-06-9.mol

Synonyms:10490-06-9;Acetic acid, bis(ethylthio)-;SCHEMBL4288970;DTXSID50482256

Chemical Property of Acetic acid, bis(ethylthio)-

Chemical Property:

• Boiling Point: 278.7±30.0 °C(Predicted)
• PSA: 87.90000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 1.90330
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 180.02787197
• Heavy Atom Count: 10
• Complexity: 99.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(C(=O)O)SCC

Technology Process of Acetic acid, bis(ethylthio)-

There total 1 articles about Acetic acid, bis(ethylthio)- 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:

ethanesulfinyl-acetic acid (57830-38-3) → glyoxalic acid ethylthioacetal (10490-06-9) + Glyoxilic acid (298-12-4)

Guidance literature:

With hydrogenchloride;

Reference yield: 100.0%

glyoxalic acid ethylthioacetal (10490-06-9) + benzyl chloride (100-44-7) → 2,2-bis(ethylthio)-3-phenylpropanoic acid (71535-49-4)

Guidance literature:

With oxonium; potassium hexamethylsilazane; In tetrahydrofuran; at 25 ℃; for 1h; Product distribution; reagents, solvent, temperature, time;

Reference yield: 90.0%

glyoxalic acid ethylthioacetal (10490-06-9) + benzylidene phenylamine (538-51-2) → 3,3-bis-ethylsulfanyl-1,4-diphenyl-azetidin-2-one (58296-60-9)

Guidance literature:

With triethylamine; N,N-dimethylphosphoroamidic dichloride; In dichloromethane; at 0 - 25 ℃; for 24h;

DOI:10.1016/S0040-4039(00)96016-7

upstream raw materials:

ethanesulfinyl-acetic acid

Downstream raw materials:

2,2-bis(ethylthio)-2-(cyclohexyl)acetic acid

bis(ethylthio)methane

2,2-bis(ethylthio)-4S-(p-toluenesulphonamido)-5-phenylpentanoic acid

2,2-bis(ethylthio)-3-phenylpropanoic acid