1,3,5-Trithiane

Base Information

• Chemical Name: 1,3,5-Trithiane
• CAS No.: 291-21-4
• Molecular Formula: C3H6S3
• Molecular Weight: 138.279
• Hs Code.: 2934999090
• European Community (EC) Number: 206-029-7
• NSC Number: 1937
• UNII: 4AM764YC6X
• DSSTox Substance ID: DTXSID2059778
• Nikkaji Number: J2.570D
• Wikipedia: 1,3,5-Trithiane
• Wikidata: Q2356063
• Metabolomics Workbench ID: 47392
• Mol file: 291-21-4.mol

Synonyms:1,3,5-trithiane

Chemical Property of 1,3,5-Trithiane

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 0.0983mmHg at 25°C
• Melting Point: 215-220 °C (dec.)(lit.)
• Refractive Index: 1.651
• Boiling Point: 230.7 °C at 760 mmHg
• Flash Point: 104.4 °C
• PSA: 75.90000
• Density: 1.318 g/cm³
• LogP: 2.07210
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Very Slightly, Heated), DMSO (Very Slightly, Heated)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 137.96316371
• Heavy Atom Count: 6
• Complexity: 21.5

Purity/Quality:

97% min ^*data from raw suppliers

1,3,5-Trithiane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C1SCSCS1
• Uses: 1,3,5-Trithiane is an precursor to organosulfur reagents.

Technology Process of 1,3,5-Trithiane

There total 51 articles about 1,3,5-Trithiane 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: 50.0%

N-<1,3,5>-Trithian-1-ylidene-4-methylbenzenesulfonamide (60565-57-3) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 2-Methoxy-s-trithian (60565-46-0) + 2-(2,4-Dichloro-phenoxy)-[1,3,5]trithiane (81259-24-7) + [1,3,5]trithiane (291-21-4)

Guidance literature:

With potassium hydroxide; In methanol; for 3h; Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

Reference yield: 40.0%

[1,3,5]trithiane-1-oxide (10349-03-8) → [1,3,5]trithiane (291-21-4)

Guidance literature:

With oxygen; In ethanol; at 30 ℃; for 48h; Mortierella isabellina NRRL 1757;

DOI:10.1039/P19810000930

Reference yield:

poly(methylenesulphide); Monomer(s): methylene dibromide → Ethyl methyl sulfide (624-89-5) + methyl vinyl sulfide (1822-74-8) + formaldehyde methyldithiohemiacetal (29414-47-9) + [1,3,5]trithiane (291-21-4)

Guidance literature:

at 700 ℃; Further Variations:; Reaction partners; Product distribution;

upstream raw materials:

piperidino-methanethiol

morpholin-4-yl-methanethiol

carbon disulfide

formaldehyd

Downstream raw materials:

chloromethyl ethyl sulfide

2-chloroethyl chloromethyl sulphide

benzyl chloromethyl sulfide

Dimethoxymethane

Refernces

• 1、 Chattaway,Kellett. "-". . p. 2182,2184, 2185. Retrieved 1931.
• 2、 Gleiter, Rolf,Rittinger, Stefan,Langer, Heinrich. "Synthesis of Heterocyclic Diynes and their Reaction with CpCo(CO)2". . p. 357 - 363. Retrieved 2007/10/02.
• 3、 Meyer, B.,Hermanns, K.,Reddoch, J.. "THE REACTION OF AQUEOUS THIOSULFATE WITH FORMALDEHYDE". . p. 283 - 290. Retrieved 2007/10/02.