(3-Cyano-1,3-thiazolidin-2-ylidene)cyanamide

Base Information

• Chemical Name: (3-Cyano-1,3-thiazolidin-2-ylidene)cyanamide
• CAS No.: 515856-60-7
• Molecular Formula: C5H4N4S
• Molecular Weight: 152.17706
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90466055
• Nikkaji Number: J1.841.657C
• Mol file: 515856-60-7.mol

Synonyms:(3-cyano-1,3-thiazolidin-2-ylidene)cyanamide;515856-60-7;SCHEMBL17604958;SCHEMBL17604960;DTXSID90466055;JRBSIHLDYTYJFD-VMPITWQZSA-N;(E)-N-(3-cyanothiazolidin-2-ylidene)cyanamide

Chemical Property of (3-Cyano-1,3-thiazolidin-2-ylidene)cyanamide

Chemical Property:

• Boiling Point: 263.4±23.0 °C(Predicted)
• PKA: -13.94±0.20(Predicted)
• PSA: 88.48000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 0.29126
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 152.01566732
• Heavy Atom Count: 10
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=NC#N)N1C#N

Technology Process of (3-Cyano-1,3-thiazolidin-2-ylidene)cyanamide

There total 1 articles about (3-Cyano-1,3-thiazolidin-2-ylidene)cyanamide 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: 85.0%

bromocyane (506-68-3) + 2-(N-cyanoimino)thiazolidine (26364-65-8) → 3-cyano-2-(N-cyanoimino)thiazolidine (515856-60-7)

Guidance literature:

2-(N-cyanoimino)thiazolidine; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

bromocyane; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield: 99.0%

ethyl 2-phenylsulfonylacetate (7605-30-3) + 3-cyano-2-(N-cyanoimino)thiazolidine (515856-60-7) → C11H10NO4S(1-)*Na(1+)

Guidance literature:

ethyl 2-phenylsulfonylacetate; With sodium hydride; In tetrahydrofuran; at 20 ℃;

3-cyano-2-(N-cyanoimino)thiazolidine; In tetrahydrofuran; at 20 ℃; for 60h;

Reference yield: 81.0%

malonic acid dibenzyl ester (15014-25-2) + 3-cyano-2-(N-cyanoimino)thiazolidine (515856-60-7) → cyano-malonic acid dibenzyl ester; sodium-compound

Guidance literature:

malonic acid dibenzyl ester; With sodium hydride; In tetrahydrofuran; at 20 ℃;

3-cyano-2-(N-cyanoimino)thiazolidine; In tetrahydrofuran; at 20 ℃; for 5h;

upstream raw materials:

bromocyane

2-(N-cyanoimino)thiazolidine

Refernces