4-Thiazolidinone, 3-methyl-5-(3-methyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-thioxo-

Base Information

• Chemical Name: 4-Thiazolidinone, 3-methyl-5-(3-methyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-thioxo-
• CAS No.: 41270-34-2
• Molecular Formula: C8H6N2O2S4
• Molecular Weight: 290.4054
• NSC Number: 174777
• Mol file: 41270-34-2.mol

Synonyms:4-Thiazolidinone, 3-methyl-5-(3-methyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-thioxo-;41270-34-2;NSC174777;HMS1578B01;STK832890;AKOS002201549;NSC-174777;AB00074342-01;SR-01000196709;SR-01000196709-1;5,5'-Bis(3-methyl-4-oxo-2-thioxothiazolidinylidene);F0444-0079;(E)-3,3'-dimethyl-2,2'-dithioxo-2H,2'H-[5,5'-bithiazolylidene]-4,4'(3H,3'H)-dione;(5E)-3-methyl-5-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-thioxo-1,3-thiazolidin-4-one

Chemical Property of 4-Thiazolidinone, 3-methyl-5-(3-methyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-thioxo-

Chemical Property:

• Vapor Pressure: 0.000271mmHg at 25°C
• Boiling Point: 322.9°Cat760mmHg
• Flash Point: 149.1°C
• Density: 1.78g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 289.93121213
• Heavy Atom Count: 16
• Complexity: 429

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C(=C2C(=O)N(C(=S)S2)C)SC1=S
• Isomeric SMILES: CN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)C)/SC1=S

Technology Process of 4-Thiazolidinone, 3-methyl-5-(3-methyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-thioxo-

There total 7 articles about 4-Thiazolidinone, 3-methyl-5-(3-methyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-thioxo- 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%

carbon disulfide (75-15-0,12122-00-8) + dimethyl acetylenedicarboxylate (762-42-5) + methylamine (74-89-5) → 3,3'-dimethyl-2,2'-dithioxo[5,5']bithiazolidinylidene-4,4'-dione (41270-34-2)

Guidance literature:

With air; In neat (no solvent); for 0.116667h;

DOI:10.1002/jhet.1729

Reference yield: 12.0%

carbon disulfide (75-15-0,12122-00-8) + dimethyl acetylenedicarboxylate (762-42-5) + methylamine (74-89-5) → 3,3'-dimethyl-2,2'-dithioxo-[5,5']bithiazolidinylidene-4,4'-dione (41270-34-2)

Guidance literature:

In ethanol; water;

DOI:10.1039/c7tc02886e

Reference yield:

4,4'-diamino-3,3'-dimethyl-3H,3'H-[5,5']bithiazolyl-2,2'-dithione (52626-61-6) → 3,3'-dimethyl-2,2'-dithioxo-[5,5']bithiazolidinylidene-4,4'-dione (41270-34-2)

Guidance literature:

Multi-step reaction with 2 steps

1: O₂, Et₃N / dimethylformamide / 72 h / Ambient temperature

2: aq. H₂SO₄

With sulfuric acid; oxygen; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1248/cpb.22.505

upstream raw materials:

(E)-4,4'-diimino-3,3'-dimethyl-tetrahydro-[5,5']bithiazolylidene-2,2'-dithione

4,4'-diamino-3,3'-dimethyl-3H,3'H-[5,5']bithiazolyl-2,2'-dithione

cis-1,2-bis-(methylmercapto)-1,2-dicyanoethylene

carbon disulfide