5-(dimethylamino)-3H-1,2,4-dithiazole-3-thione

Base Information

• Chemical Name: 5-(dimethylamino)-3H-1,2,4-dithiazole-3-thione
• CAS No.: 29220-04-0
• Molecular Formula: C4H6 N2 S3
• Molecular Weight: 178.303
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID70372660
• Nikkaji Number: J1.006.487B
• Wikidata: Q82160491
• Mol file: 29220-04-0.mol

Synonyms:29220-04-0;3-DIMETHYLAMINO-1,2,4-DITHIAZOLE-5-THIONE;5-(dimethylamino)-3H-1,2,4-dithiazole-3-thione;5-(dimethylamino)-1,2,4-dithiazole-3-thione;3H-1,2,4-Dithiazole-3-thione, (dimethylamino)-;Bio9C6;SCHEMBL8989546;DTXSID70372660;CCG-46375;MFCD00052567;AKOS024348831;AS-67187;CS-0450585;J-640189;J-800190;SR-01000636077-1

Chemical Property of 5-(dimethylamino)-3H-1,2,4-dithiazole-3-thione

Chemical Property:

• Vapor Pressure: 0.0337mmHg at 25°C
• Melting Point: 175-177°C
• Boiling Point: 242.6°Cat760mmHg
• Flash Point: 100.5°C
• PSA: 104.70000
• Density: 1.49g/cm³
• LogP: 2.00010
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.96931172
• Heavy Atom Count: 9
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

3-DIMETHYLAMINO-1,2,4-DITHIAZOLE-5-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC(=S)SS1
• Uses: 3-Dimethylamino-1,2,4-dithiazole-5-thione, is used as a pharmaceutical intermediate.

Technology Process of 5-(dimethylamino)-3H-1,2,4-dithiazole-3-thione

There total 3 articles about 5-(dimethylamino)-3H-1,2,4-dithiazole-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: 84.0%

carbon disulfide (75-15-0,12122-00-8) + NCNMe2 (1467-79-4) → 5-Dimethylamino-1,2,4-dithiazole-3-thione (29220-04-0) + 2,6-Bis(dimethylamino)<1,2,4>dithiazolo<1,5-b><1,2,4>dithiazole-6a-SIV (125102-23-0) + 2,6-Bis(dimethylamino)-4-dimethylthiocarbamoylimino-1,3,5-thiadiazine (129207-98-3)

Guidance literature:

at 100 ℃; for 20h; under 3750300 Torr; Product distribution; Mechanism; variation of conditions; other dialkylcyanamides;

Reference yield:

potassium thioacyanate (333-20-0) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → 5-Dimethylamino-1,2,4-dithiazole-3-thione (29220-04-0)

Guidance literature:

Multistep reaction; (i) acetone, (ii) sulfur;

Reference yield:

→ 5-Dimethylamino-1,2,4-dithiazole-3-thione (29220-04-0)

Guidance literature:

/BRN= 969608/, 1.)CS2/NaOH, 2.)AcOH, 3.)H2O2(Ox.);

upstream raw materials:

potassium thioacyanate

N,N-Dimethylthiocarbamoyl chloride

carbon disulfide

NCNMe₂

Downstream raw materials:

O,O,O-triphenyl phosphorothioate

3-dimethylamino-1,2,4-dithiazole-5-thione

3-benzylsulfanyl-5-dimethylamino-[1,2,4]dithiazolylium; chloride

triphenylphosphine sulfide

Refernces