3-Methyl-1,2,4-trithiane

Base Information

• Chemical Name: 3-Methyl-1,2,4-trithiane
• CAS No.: 43040-01-3
• Molecular Formula: C₄H₈S₃
• Molecular Weight: 152.306
• European Community (EC) Number: 256-056-3
• UNII: G1961C379S
• DSSTox Substance ID: DTXSID00866108
• Nikkaji Number: J422.480I
• Wikidata: Q27278574
• Metabolomics Workbench ID: 47731
• Mol file: 43040-01-3.mol

Synonyms:3-Methyl-1,2,4-trithiane;43040-01-3;FEMA No. 3718;1,2,4-Trithiane, 3-methyl-;3-Methyl-1,2,4-trithiacyclohexane;1,2,4-Trithiane, 3-methyl;UNII-G1961C379S;EINECS 256-056-3;G1961C379S;3-methyl-1 ,2,4-trithiane;SCHEMBL2210726;FEMA 3718;DTXSID00866108;3-METHYL-1,2,4-TRITHIANE [FHFI];(+/-)-3-METHYL-1,2,4-TRITHIANE;3-METHYL-1,2,4-TRITHIANE, (+/-)-;Q27278574

Chemical Property of 3-Methyl-1,2,4-trithiane

Chemical Property:

• Appearance/Colour: colourless liquid with strong odour
• Vapor Pressure: 0.0527mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 242.5 °C at 760 mmHg
• Flash Point: 108.2 °C
• PSA: 75.90000
• Density: 1.219 g/cm³
• LogP: 2.46060
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.97881378
• Heavy Atom Count: 7
• Complexity: 54.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1SCCSS1
• Description: 3-Methyl-1,2,4-trithiane has a strong odor.

Technology Process of 3-Methyl-1,2,4-trithiane

There total 2 articles about 3-Methyl-1,2,4-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:

L-Cysteine (52-90-4) → 2,4,5-trimethylthiazole (13623-11-5) + 5-ethyl-2-methylthiazole (19961-52-5) + 2-ethyl-3,6-dimethylpyrazine (13360-65-1) + 3,6-dimethyl-1,2,4,5-tetrathiane (67411-27-2) + 3-methyl-1,2,4-trithiane (43040-01-3) + 2,4-dimethyl-5-ethylthiazole (38205-61-7)

Guidance literature:

With cellulose; at 185 ℃; for 0.333333h; Product distribution; Mechanism; also in the presence of D-ribose and lecithin and in the absence of cellulose;

DOI:10.1021/jf00053a033

Reference yield:

L-Cysteine (52-90-4) + D-Ribose (532-20-7,613-83-2,7261-25-8,7687-39-0,13221-22-2,14795-83-6,15761-67-8,20074-49-1,25545-03-3,25545-04-4,32445-75-3,34436-17-4,36441-93-7,36468-53-8,37110-85-3,37388-49-1,38029-69-5,40461-77-6,40461-89-0,41546-19-4,41546-20-7,41546-21-8,41546-26-3,41546-29-6,41546-30-9,41546-31-0,126872-16-0,131064-98-7) → 5-methylthiazole (3581-89-3) + 3-methyl-1,2,4-trithiane (43040-01-3) + 2-methyl-3-(methylthio)thiophene + 2-pentylthiapyran + 1-(2-furanylmethyl)methyl-1H-pyrrole + 1-(2-furanylmethyl)dimethyl-1H-pyrrole

Guidance literature:

With water; 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine; at 185 ℃; for 0.333333h; Product distribution; also without lecithin and ribose;

DOI:10.1021/jf00052a027

upstream raw materials:

L-Cysteine

D-Ribose

Refernces

• 1、 Mottram, Donald S.,Whitfield, Frank B.. "Maillard-Lipid Interactions in Nonaqueous Systems: Volatiles from the Reaction of Cysteine and Ribose with Phosphatidylcholine". . p. 1302 - 1306. Retrieved 2007/10/02.