(5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione

Base Information

• Chemical Name: (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione
• CAS No.: 20042-85-7
• Molecular Formula: C4H6 N2 S3
• Molecular Weight: 178.303
• NSC Number: 405279
• DSSTox Substance ID: DTXSID00274885
• Nikkaji Number: J402.146K

Synonyms:20042-85-7;(5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione;NSC405279;SCHEMBL6814845;DTXSID00274885;STL447113;AKOS005223895;NSC-405279;4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione;(5Z)-4-methyl-5-[(Z)-methylimino]-1,2,4-dithiazolidine-3-thione

Chemical Property of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione

Chemical Property:

• Vapor Pressure: 0.0337mmHg at 25°C
• Boiling Point: 242.6°C at 760 mmHg
• Flash Point: 100.5°C
• Density: 1.49g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 177.96931172
• Heavy Atom Count: 9
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN=C1N(C(=S)SS1)C

Technology Process of (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione

There total 1 articles about (5Z)-4-methyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione 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:

benzyl α,γ-dimethyl-β-S-benzyltrithioallophanate (122228-61-9) → 4-methyl-5-methylamino-3-thio-1,2,4-dithiazolidine (20042-85-7) + benzyl bromide (100-39-0)

Guidance literature:

With bromine; In benzene; warming;

Reference yield: 94.0%

4-methyl-5-methylamino-3-thio-1,2,4-dithiazolidine (20042-85-7) + P-toluenesulfonyl cyanide (19158-51-1) → 4-methyl-3-(p-toluenesulfonyl)-1,2,4-thiadiazoline-5-thione (133523-50-9)

Guidance literature:

In ⁽²⁾H₈-toluene; at 90 ℃; Product distribution; Mechanism; other nitriles;

DOI:10.1021/jo00010a018

Reference yield: 77.0%

4-methyl-5-methylamino-3-thio-1,2,4-dithiazolidine (20042-85-7) + Benzoyl isothiocyanate (532-55-8) → 5-benzoylimino-4-methyl-3-methylimino-1,2,4-dithiazolidine (137448-21-6)

Guidance literature:

In toluene; for 168h; Heating;

upstream raw materials:

benzyl α,γ-dimethyl-β-S-benzyltrithioallophanate

Downstream raw materials:

4-methyl-3-methylimino-5-phenylsulfonylimino-1,2,4-dithiazolidine

4-methyl-3-(p-toluenesulfonyl)-1,2,4-thiadiazoline-5-thione

5,5-diphenyl-3-methyl-2-thioxothiazolidin-4-one

5-benzoylimino-4-methyl-3-methylimino-1,2,4-dithiazolidine

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