3-Benzylideneamino-4-phenylthiazoline-2-thione

Base Information

• Chemical Name: 3-Benzylideneamino-4-phenylthiazoline-2-thione
• CAS No.: 22454-80-4
• Molecular Formula: C16H12 N2 S2
• Molecular Weight: 296.40988
• Hs Code.: 2934100090
• Mol file: 22454-80-4.mol

Synonyms:3-Benzylideneamino-4-phenylthiazoline-2-thione;22454-80-4;Fentiazon;4-27-00-02794 (Beilstein Handbook Reference);TF-114;BRN 0224250;4-Phenyl-3-((phenylmethylene)amino)-2(3H)-thiazolethione;C16-H12-N2-S2;Thiazoline-2-thione, 3-(benzylideneamino)-4-phenyl-;4-Thiazoline 2-thione, 3-(benzylideneamino)-4-phenyl-;4-Thiazoline-2-thione, 3-(benzylideneamino)-4-phenyl-;2(3H)-Thiazolethione, 4-phenyl-3-((phenylmethylene)amino)- (9CI);3-[(E)-benzylideneamino]-4-phenyl-1,3-thiazole-2-thione;4-Phenyl-3-(phenylmethylideneamino)-1,3-thiazole-2-thione;4-Phenyl-3-[(E)-(phenylmethylidene)amino]-2,3-dihydro-1,3-thiazole-2-thione

Chemical Property of 3-Benzylideneamino-4-phenylthiazoline-2-thione

Chemical Property:

• Vapor Pressure: 1.27E-08mmHg at 25°C
• Boiling Point: 459.4°Cat760mmHg
• Flash Point: 231.6°C
• PSA: 77.62000
• Density: 1.21g/cm³
• LogP: 4.82830
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 296.04419074
• Heavy Atom Count: 20
• Complexity: 405

Purity/Quality:

97% ^*data from raw suppliers

3-BENZYLIDENEAMINO-4-PHENYLTHIAZOLINE-2-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NN2C(=CSC2=S)C3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)/C=N/N2C(=CSC2=S)C3=CC=CC=C3

Technology Process of 3-Benzylideneamino-4-phenylthiazoline-2-thione

There total 3 articles about 3-Benzylideneamino-4-phenylthiazoline-2-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: 90.0%

3-amino-4-phenylthiazoline-2(3H)-thione (5316-81-4) + benzaldehyde (100-52-7) → 3-benzylideneamino-4-phenyl-1,3-thiazole-2-thione (22454-80-4)

Guidance literature:

With hydrogenchloride; sodium acetate; In ethanol; water; at 60 - 70 ℃; for 2h;

Reference yield:

phenacyl hydrazinodithioformate (73798-89-7) → 3-benzylideneamino-4-phenyl-1,3-thiazole-2-thione (22454-80-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl / ethanol / 0.5 h / Heating

2: 90 percent / sodium acetate, 15 N HCl / ethanol; H₂O / 2 h / 60 - 70 °C

With hydrogenchloride; sodium acetate; In ethanol; water;

Reference yield:

→ 3-benzylideneamino-4-phenyl-3H-thiazole-2-thione (22454-80-4)

Guidance literature:

Aldehyd, R-NH2;

upstream raw materials:

3-amino-4-phenylthiazoline-2(3H)-thione

benzaldehyde

phenacyl hydrazinodithioformate

Downstream raw materials:

3-benzylamino-4-phenyl-1,3-thiazole-2-thione

6-(4-Bromo-benzoyl)-3,5-diphenyl-5,6-dihydro-4H-1,7-dithia-4-aza-3a-azonia-indene; bromide

6-(4-Methoxy-benzoyl)-3,5-diphenyl-5,6-dihydro-4H-1,7-dithia-4-aza-3a-azonia-indene; bromide