5-Cyclohexyl-1,3,5-dithiazinane

Base Information

• Chemical Name: 5-Cyclohexyl-1,3,5-dithiazinane
• CAS No.: 94503-95-4
• Molecular Formula: C9H17NS2
• Molecular Weight: 203.373
• NSC Number: 100169
• UNII: G3UPM91YLH
• DSSTox Substance ID: DTXSID80241515
• Wikidata: Q83125034
• Mol file: 94503-95-4.mol

Synonyms:5-Cyclohexyl-1,3,5-dithiazinane;94503-95-4;G3UPM91YLH;UNII-G3UPM91YLH;NSC100169;NSC 100169;NSC-100169;NCIOpen2_007267;DTXSID80241515;N-cyclohexyl-1,3,5-dithiazinane;4H-1,3,5-Dithiazine, 5-cyclohexyldihydro-;5-CYCLOHEXYLDIHYDRO-4H-1,3,5-DITHIAZINE

Chemical Property of 5-Cyclohexyl-1,3,5-dithiazinane

Chemical Property:

• Vapor Pressure: 0.000644mmHg at 25°C
• Boiling Point: 309.3°Cat760mmHg
• Flash Point: 140.9°C
• Density: 1.151g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 203.08024189
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)N2CSCSC2

Technology Process of 5-Cyclohexyl-1,3,5-dithiazinane

There total 2 articles about 5-Cyclohexyl-1,3,5-dithiazinane 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: 43.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyclohexylamine (108-91-8,157973-60-9) → 5-cyclohexylperhydro-1,3,5-dithiazine (94503-95-4)

Guidance literature:

formaldehyd; cyclohexylamine; at 80 ℃; for 2h;

With hydrogen sulfide; at 80 ℃; for 1h;

DOI:10.1007/s11172-005-0268-6

Reference yield:

1,3,5-tricyclohexyl-[1,3,5]triazinane (6281-14-7) → 3,7-dicyclohexyl-[1,5,3,7]dithiadiazocane (97771-67-0) + 5-cyclohexylperhydro-1,3,5-dithiazine (94503-95-4)

Guidance literature:

With ethanol; hydrogen sulfide; at 0 ℃;

DOI:10.1039/jr9500000208

Reference yield:

5-cyclohexylperhydro-1,3,5-dithiazine (94503-95-4) + hydrogenchloride (7647-01-0,15364-23-5) → [1,3,5]trithiane (291-21-4)

Guidance literature:

DOI:10.1039/jr9500000208

upstream raw materials:

1,3,5-tricyclohexyl-[1,3,5]triazinane

formaldehyd

cyclohexylamine

Downstream raw materials:

[1,3,5]trithiane