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% ^*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:

2,4,6-trithiaheptane

formaldehyde methyldithiohemiacetal

Trimethylsilanylsulfanyl-trimethylsilanylsulfanylmethylsulfanyl-methane

2-benzyl-1,3,5-trithiane

Refernces

The Action of Hydrogen Sulphide on Certain Aromatic Amines in the Presence of Formaldehyde

10.1039/jr9530004089

The study investigates the reaction of hydrogen sulphide and formaldehyde with aromatic amines such as aniline and p-toluidine. The researchers found that these amines can condense with hydrogen sulphide and formaldehyde to form various compounds, including tetrahydrothiadiazines, thia-azetidines, and dihydrodithiazines. The specific products formed depend on the proportions of the reactants used. For instance, when 1 mol of hydrogen sulphide in aqueous-ethanolic formaldehyde is condensed with 2 mols of the amine, tetrahydrothiadiazines are obtained. However, when 2 mols of hydrogen sulphide are condensed with 1 mol of amine, mixtures of thia-azetidines and dihydrodithiazines are produced. The study also notes that all the cyclic products rapidly decompose to trithioformaldehyde and the amine hydrochloride when heated with hydrochloric acid.