3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione

Base Information

• Chemical Name: 3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione
• CAS No.: 17654-88-5
• Molecular Formula: C8H6 N2 S3
• Molecular Weight: 226.347
• Hs Code.: 2934999090
• European Community (EC) Number: 241-636-0
• DSSTox Substance ID: DTXSID00170151
• Nikkaji Number: J9.106E
• Mol file: 17654-88-5.mol

Synonyms:bismuthiol II

Chemical Property of 3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione

Chemical Property:

• Vapor Pressure: 0.000327mmHg at 25°C
• Melting Point: 246.25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 320°Cat760mmHg
• Flash Point: 147.3°C
• PSA: 116.95000
• Density: 1.58g/cm³
• LogP: 2.95200
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.96931172
• Heavy Atom Count: 13
• Complexity: 236

Purity/Quality:

98%Min ^*data from raw suppliers

3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=S)SC(=S)N2

Technology Process of 3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione

There total 4 articles about 3-Phenyl-1,3,4-thiadiazolidine-2,5-dithione 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) + phenylhydrazine (100-63-0) → 5-mercapto-3-phenyl-4.5-dihydro-{1.3.4}thiadiazole-thione-(2) (17654-88-5)

Guidance literature:

In pyridine; N,N-dimethyl-formamide; at 20 - 100 ℃; for 2h;

DOI:10.1039/b109726a

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + phenylhydrazine (100-63-0) → 2,5-dithioxo-3-phenyl-1,3,4-thiodiazolidine (17654-88-5)

Guidance literature:

Reference yield:

trithiocarbonic acid bis-(4-phenyl-5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl ester) (59166-38-0) → 5-mercapto-3-phenyl-4.5-dihydro-{1.3.4}thiadiazole-thione-(2) (17654-88-5)

Guidance literature:

With hydrazine hydrate;

upstream raw materials:

carbon disulfide

phenylhydrazine

trithiocarbonic acid bis-(4-phenyl-5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl ester)

pyrrolidine

Downstream raw materials:

3-phenyl-[1,3,4]thiadiazolidine-2,5-dithione; cadmium-salt

bis-<4-phenyl-5-thion-1,3,4-thiadiazolinyl-(2)> disulfide

bis-<4-phenyl-5-oxo-1,3,4-thiadiazolinyl-(2)> disulfide

5-(5-nitro-furan-2-ylmethylsulfanyl)-3-phenyl-3H-[1,3,4]thiadiazole-2-thione

Refernces