1,3-Dithiolan-2-ylidenecyanamide

Base Information

• Chemical Name: 1,3-Dithiolan-2-ylidenecyanamide
• CAS No.: 10191-72-7
• Molecular Formula: C₄H₄N₂S₂
• Molecular Weight: 144.221
• DSSTox Substance ID: DTXSID80349762
• ChEMBL ID: CHEMBL1719510
• Mol file: 10191-72-7.mol

Synonyms:1,3-dithiolan-2-ylidenecyanamide;10191-72-7;SMR000038175;MLS000038820;[(1,3-dithiolan-2-ylidene)amino]formonitrile;2-(cyanoimino)-1,3-dithiolane;cid_659808;CHEMBL1719510;BDBM66238;DTXSID80349762;HMS2301N15;STL298467;AKOS005091761;4N-760

Chemical Property of 1,3-Dithiolan-2-ylidenecyanamide

Chemical Property:

• PSA: 86.75000
• LogP: 1.30348
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 143.98159048
• Heavy Atom Count: 8
• Complexity: 147

Purity/Quality:

N-(1,3-DITHIOLAN-2-YLIDEN)CYANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=NC#N)S1

Technology Process of 1,3-Dithiolan-2-ylidenecyanamide

There total 2 articles about 1,3-Dithiolan-2-ylidenecyanamide 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: 83.0%

3-chloro-5-(2-chloro-ethylsulfanyl)-[1,2,4]thiadiazole (26542-82-5) → 2-(cyanoimino)-1,3-dithiolane (10191-72-7)

Guidance literature:

With tetraethylammonium bromide; In acetonitrile; electrolysis by 1.6 V (against SCE) with Pt cathode, Al anode;

Reference yield:

→ 2-(cyanoimino)-1,3-dithiolane (10191-72-7)

Guidance literature:

Di-K-Salz v. Dimercaptomethylen-cyanamid, 1.2-Dibrom-ethan, Wasser;

DOI:10.1021/jo01283a046

Reference yield: 73.0%

2-(cyanoimino)-1,3-dithiolane (10191-72-7) + 4-fluorophenylhydrazine (371-14-2) → 5-amino-1-(4-fluorophenyl)-3-(2-mercaptoethylthio)-1,2,4-triazole (150366-92-0)

Guidance literature:

In ethanol; for 1h; Heating;

upstream raw materials:

3-chloro-5-(2-chloro-ethylsulfanyl)-[1,2,4]thiadiazole

Downstream raw materials:

2-([1,3]Dithiolan-2-ylideneamino)-6-(4-ethoxy-phenyl)-[1,3]oxazin-4-one

5-amino-1-(4-fluorophenyl)-3-(2-mercaptoethylthio)-1,2,4-triazole

5-amino-3-(2-mercaptoethylthio)-1-phenyl-1,2,4-triazole

2-([1,3]Dithiolan-2-ylideneamino)-6-p-tolyl-[1,3]oxazin-4-one