2-Mercapto-4,6,6-trimethylthiazine

Base Information

• Chemical Name: 2-Mercapto-4,6,6-trimethylthiazine
• CAS No.: 17374-21-9
• Molecular Formula: C₇H₁₁NS₂
• Molecular Weight: 173.303
• Hs Code.: 2934999090
• NSC Number: 3280
• DSSTox Substance ID: DTXSID50938425
• Nikkaji Number: J48.827E
• Mol file: 17374-21-9.mol

Synonyms:17374-21-9;2-Mercapto-4,6,6-trimethylthiazine;4,6,6-trimethyl-3H-1,3-thiazine-2-thione;2-Mercapto-4,6-trimethylthiazine;4,6,6-trimethyl-6h-1,3-thiazine-2-thiol;6H-1, 4,6,6-trimethyl-;DTXSID50938425;NSC3280;NSC-3280;2H-1, 3,6-dihydro-4,6,6-trimethyl-;6H-1,3-Thiazine-2-thiol, 4,6,6-trimethyl-;3,6-Dihydro-4,6,6-trimethyl-2H-1,3-thiazine-2-thione;4,6,6-trimethyl-3,6-dihydro-2H-1,3-thiazine-2-thione;2H-1,3-Thiazine-2-thione, 3,6-dihydro-4,6,6-trimethyl-

Chemical Property of 2-Mercapto-4,6,6-trimethylthiazine

Chemical Property:

• Vapor Pressure: 0.0577mmHg at 25°C
• Boiling Point: 232.9°Cat760mmHg
• Flash Point: 94.6°C
• PSA: 69.42000
• Density: 1.18g/cm³
• LogP: 2.61890
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 173.03329170
• Heavy Atom Count: 10
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(SC(=S)N1)(C)C

Technology Process of 2-Mercapto-4,6,6-trimethylthiazine

There total 2 articles about 2-Mercapto-4,6,6-trimethylthiazine 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: 73.0%

4-methyl-pent-3-en-2-one (141-79-7) + ammonium dithiocarbamate (513-74-6) → 4,6,6-trimethyl-2,3-dihydro-6H-1,3-thiazine-2-thione (17374-21-9)

Guidance literature:

With hydrogenchloride; In methanol; for 3h; Heating;

Reference yield:

4-methyl-pent-3-en-2-one (141-79-7) + dithiocarbamic acid (594-07-0) → 4,6,6-trimethyl-2,3-dihydro-6H-1,3-thiazine-2-thione (17374-21-9)

Guidance literature:

With hydrogenchloride; In ethanol;

DOI:10.1039/jr9640004008

Reference yield:

4,6,6-trimethyl-2,3-dihydro-6H-1,3-thiazine-2-thione (17374-21-9) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 2-(2,4-dinitro-phenylsulfanyl)-4,6,6-trimethyl-6H-[1,3]thiazine

Guidance literature:

With sodium hydroxide; acetone;

upstream raw materials:

4-methyl-pent-3-en-2-one

ammonium dithiocarbamate

dithiocarbamic acid