2,2'-Bibenzothiazoline

Base Information

• Chemical Name: 2,2'-Bibenzothiazoline
• CAS No.: 19258-20-9
• Molecular Formula: C₁₄H₁₂N₂S₂
• Molecular Weight: 272.395
• Hs Code.: 2934999090
• NSC Number: 77506
• DSSTox Substance ID: DTXSID60940918
• Nikkaji Number: J208.043E
• Mol file: 19258-20-9.mol

Synonyms:19258-20-9;2,2'-Bibenzothiazoline;2,2'-Bisbenzothiazoline;2,2',3,3'-Tetrahydro-2,2'-bibenzo[d]thiazole;2-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,3-benzothiazole;2,2'-Bibenzothiazole, 2,2',3,3'-tetrahydro-;2,2/'-BISBENZOTHIAZOLINE;NSC77506;2,2'-Dibenzothiazoline;NCIOpen2_003862;2,2-BISBENZOTHIAZOLINE;SCHEMBL21808704;DTXSID60940918;MFCD00059699;NSC-77506;AS-75564;B0377;CS-0333734;FT-0733853;T70492;2,2',3,3'-Tetrahydro-2,2'-bi-1,3-benzothiazole

Chemical Property of 2,2'-Bibenzothiazoline

Chemical Property:

• Melting Point: 135oC
• Boiling Point: 474.5°Cat760mmHg
• PKA: 1.53±0.40(Predicted)
• Flash Point: 240.8°C
• PSA: 74.66000
• Density: 1.35g/cm³
• LogP: 4.35020
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 272.04419074
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2''-Bibenzothiazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(S2)C3NC4=CC=CC=C4S3

Technology Process of 2,2'-Bibenzothiazoline

There total 2 articles about 2,2'-Bibenzothiazoline 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:

Glyoxal (131543-46-9,107-22-2) + 2-amino-benzenethiol (137-07-5) → 2,2'-bisbenzothiazolinyl (19258-20-9)

Guidance literature:

In ethanol; Ambient temperature;

Reference yield:

→ 2,2'-bisbenzothiazolinyl (19258-20-9)

Guidance literature:

2-Amino-thiophenol,Glyoxal,sd.Acetonitril;

DOI:10.1021/ja01069a017

upstream raw materials:

Glyoxal

2-amino-benzenethiol

Refernces

• 1、 Singh, Kiran,Singh, R. V.,Tandon, J. P.. "Studies on the Coordination Behaviour of Benzothiazolines towards Pb(II) Ion". . p. 525 - 531. Retrieved 2007/10/02.