3-Methyl-1,3-benzothiazol-2(3H)-imine

Base Information

• Chemical Name: 3-Methyl-1,3-benzothiazol-2(3H)-imine
• CAS No.: 14779-16-9
• Molecular Formula: C8H8N2S
• Molecular Weight: 164.231
• Hs Code.: 2934999090
• European Community (EC) Number: 238-845-4
• DSSTox Substance ID: DTXSID50868132
• Nikkaji Number: J24.682D
• Wikidata: Q107966451
• Mol file: 14779-16-9.mol

Synonyms:14779-16-9;3-Methyl-1,3-benzothiazol-2(3H)-imine;3-methyl-1,3-benzothiazol-2-imine;3-methylbenzo[d]thiazol-2(3H)-imine;3-Methyl-3H-benzothiazol-2-imine;2-Imino-3-methylbenzothiazoline;3-Methyl-3H-benzothiazol-2-ylideneamine;3-methyl-2,3-dihydro-1,3-benzothiazol-2-imine;Benzothiazoline, 2-imino-3-methyl-;EINECS 238-845-4;2(3H)-Benzothiazolimine, 3-methyl-;N-Methylbenzothiazolone imine;3-Methylbenzothiazol-2-imine;3-Methylbenzothiazolone imine;3-methyl-2-iminobenzthiazoline;SCHEMBL3895181;3-methyl-2-imino-benzthiazoline;DTXSID50868132;HMS1782K06;3-Methylbenzothiazol-2(3H)-imine;STL183154;AKOS000115539;3-Methyl-1,3-benzothiazol-2(3H)-imine #;EN300-02279;Z56812812;F2146-0025

Chemical Property of 3-Methyl-1,3-benzothiazol-2(3H)-imine

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.688
• Boiling Point: 266.954 °C at 760 mmHg
• Flash Point: 115.25 °C
• PSA: 57.02000
• Density: 1.31 g/cm³
• LogP: 1.81900
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.04081944
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

3-methyl-1,3-benzothiazol-2(3H)-imine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2SC1=N

Technology Process of 3-Methyl-1,3-benzothiazol-2(3H)-imine

There total 22 articles about 3-Methyl-1,3-benzothiazol-2(3H)-imine 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:

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + dimethyl sulfate (77-78-1) → 2-Imino-3-methylbenzothiazolin (14779-16-9)

Guidance literature:

2-amino-benzthiazole; dimethyl sulfate; In toluene; at 80 ℃; for 1.5h;

With potassium hydroxide; In water; at 23 ℃; for 18h;

Reference yield:

2-hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole hydrochloride (4338-98-1,41338-96-9) → 2-Imino-3-methylbenzothiazolin (14779-16-9) + 3-methyl-(3H)benzothiazolone (2786-62-1)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 25 ℃; for 0.333333h;

DOI:10.1021/ja0400382

Reference yield:

1-methyl-1-phenylthiourea (4104-75-0) → 2-Imino-3-methylbenzothiazolin (14779-16-9)

Guidance literature:

With disulfur dichloride; chloroform;

upstream raw materials:

2-amino-benzthiazole

methyl p-toluene sulfonate

1-methyl-1-phenylthiourea

2-aminobenzothiazole

Downstream raw materials:

(3-methyl-3H-benzothiazol-2-ylidenecarbamoyl)-amidophosphoric acid diphenyl ester

N-(3-methyl-3H-benzothiazol-2-ylidene)-acetamide

bis-(3-methyl-benzothiazol-2-yl)-methinium; iodide

(4-chloro-phenyl)-(3-methyl-3H-benzothiazol-2-ylidene)-amine

Refernces

• 1、 Das, Ranajit,Banerjee, Mainak,Rai, Rakesh Kumar,Karri, Ramesh,Roy, Gouriprasanna. "Metal-free C(sp2)-H functionalization of azoles: K2CO3/I2-mediated oxidation, imination, and amination". supporting information. p. 4243 - 4260. Retrieved 2018/06/22.
• 2、 -. "O-COORDINATED METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY". Page/Page column 31-32. . Retrieved 2010/02/10.