2-Benzothiazolinethione, 3-(morpholinomethyl)-

Base Information

• Chemical Name: 2-Benzothiazolinethione, 3-(morpholinomethyl)-
• CAS No.: 27410-41-9
• Molecular Formula: C₁₂H₁₄N₂OS₂
• Molecular Weight: 266.388
• European Community (EC) Number: 688-722-8
• NSC Number: 88131
• DSSTox Substance ID: DTXSID90293262
• Wikidata: Q82031933
• Mol file: 27410-41-9.mol

Synonyms:2-Benzothiazolinethione, 3-(morpholinomethyl)-;27410-41-9;3-(morpholin-4-ylmethyl)-1,3-benzothiazole-2-thione;2(3H)-Benzothiazolethione,3-(4-morpholinylmethyl)-;3-(4-morpholinylmethyl)-1,3-benzothiazole-2(3H)-thione;NSC88131;Oprea1_061502;Oprea1_636497;CBDivE_004978;SCHEMBL9628007;DTXSID90293262;HMS1683G22;NSC-88131;STK523007;AKOS000676712;Z44101855;3-(morpholin-4-ylmethyl)-1,3-benzothiazole-2(3H)-thione;3-(MORPHOLINOMETHYL)-1,3-BENZOTHIAZOLE-2(3H)-THIONE

Chemical Property of 2-Benzothiazolinethione, 3-(morpholinomethyl)-

Chemical Property:

• Vapor Pressure: 5.03E-07mmHg at 25°C
• Boiling Point: 412.8°Cat760mmHg
• Flash Point: 203.5°C
• Density: 1.4g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.05475542
• Heavy Atom Count: 17
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CN2C3=CC=CC=C3SC2=S

Technology Process of 2-Benzothiazolinethione, 3-(morpholinomethyl)-

There total 7 articles about 2-Benzothiazolinethione, 3-(morpholinomethyl)- 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: 92.0%

morpholine (110-91-8,99108-56-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8) → 3-(4-morpholinomethyl)-1,3-benzothiazole-2(3H)-thione (27410-41-9)

Guidance literature:

In ethanol; water; at 20 ℃; for 6h;

DOI:10.1081/NCN-120026407

Reference yield: 89.94%

morpholine (110-91-8,99108-56-2) + 2-thioxo-3H-1,3-benzothiazole (149-30-4,81605-65-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 3-(4-morpholinomethyl)-1,3-benzothiazole-2(3H)-thione (27410-41-9)

Guidance literature:

for 4h; Cooling;

DOI:10.1134/S1070363213060169

Reference yield: 86.0%

morpholine (110-91-8,99108-56-2) + 3-chloromethyl-3H-benzothiazole-2-thione (41526-42-5) → 3-(4-morpholinomethyl)-1,3-benzothiazole-2(3H)-thione (27410-41-9)

Guidance literature:

With triethylamine; In benzene; for 4h; Heating;

upstream raw materials:

morpholine

3-hydroxymethyl-3H-benzothiazole-2-thione

formaldehyd

2-Mercaptobenzothiazole