trans-3,5-Diethyl-1,2,4-trithiolane

Base Information

• Chemical Name: trans-3,5-Diethyl-1,2,4-trithiolane
• CAS No.: 38348-26-4
• Molecular Formula: C6H12S3
• UNII: H276S1B73A
• Nikkaji Number: J3.604.142K
• Wikidata: Q27279542
• Mol file: 38348-26-4.mol

Synonyms:trans-3,5-Diethyl-1,2,4-trithiolane;UNII-H276S1B73A;3,5-Diethyl-1,2,4-trithiolane, (E)-;H276S1B73A;FEMA No. 4030, E-;1,2,4-Trithiolane, 3,5-diethyl-, trans-;38348-26-4;1,2,4-Trithiolane, 3,5-diethyl-, (3R,5R)-rel-;(+/-)-3,5-Diethyl-1,2,4-trithiolane, (E)-;SCHEMBL7069635;WQXXXHMEBYGSBG-PHDIDXHHSA-N;FEMA NO. 4030, TRANS-;trans-3,5-Diethyl-1,2,4,-trithiolane;3alpha,5beta-Diethyl-1,2,4-trithiolane;J3.604.142K;3,5-DIETHYL-1,2,4-TRITHIOLANE, TRANS-;Q27279542;(+/-)-3,5-DIETHYL-1,2,4-TRITHIOLANE, TRANS-;FEMA NO. 4094, 3,5-DIETHYL-1,2,4-TRITHIOLANE, TRANS-;FEMA NO. 4297, 3,5-DIETHYL-1,2,4-TRITHIOLANE, TRANS-

Chemical Property of trans-3,5-Diethyl-1,2,4-trithiolane

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.01011390
• Heavy Atom Count: 9
• Complexity: 74.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1SC(SS1)CC
• Isomeric SMILES: CC[C@@H]1S[C@H](SS1)CC

Technology Process of trans-3,5-Diethyl-1,2,4-trithiolane

There total 6 articles about trans-3,5-Diethyl-1,2,4-trithiolane 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:

2,4,6-triethyl-1,3,5-trithiane (53897-58-8) → cis-3,5-Diethyl-1,2,4-trithiolan (38348-25-3) + trans-3,5-Diethyl-1,2,4-trithiolan (38348-25-3,38348-26-4,54644-28-9)

Guidance literature:

2,4,6-triethyl-1,3,5-trithiane; With disulfur dichloride; at 100 ℃; for 1h;

With sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at -10 ℃; for 10h; Overall yield = 51 percent;

DOI:10.1080/17415993.2020.1810251

Reference yield:

bis(1-chloropropyl)sulfane (89910-04-3) → cis-3,5-Diethyl-1,2,4-trithiolan (38348-25-3) + trans-3,5-Diethyl-1,2,4-trithiolan (38348-25-3,38348-26-4,54644-28-9)

Guidance literature:

With sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at -10 ℃; for 10h; Overall yield = 54 percent;

DOI:10.1080/17415993.2020.1810251

Reference yield:

2,4,6-triethyl-1,3,5-dithiazinane → 3,6-diethyl-1,2,4,5-tetrathiane + 4,7-diethyl-1,2,3,5,6-pentathiepane + 3,5-diethyl-1,2,4-trithiolane (38348-25-3,38348-26-4,54644-28-9)

Guidance literature:

With hydrogenchloride; sodium bromate; sodium bromide; In tetrahydrofuran; water; at 0 - 20 ℃; for 3h; pH=1;

upstream raw materials:

propionaldehyde

dithiopropionic acid

2,4,6-triethyl-1,3,5-trithiane

bis(1-chloropropyl)sulfane