4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Base Information

• Chemical Name: 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
• CAS No.: 6389-77-1
• Molecular Formula: C5H4 Cl N5
• Molecular Weight: 169.573
• DSSTox Substance ID: DTXSID80980811

Synonyms:4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide;6389-77-1;1-(6-Methyl-benzothiazol-2-yl)-3-(4-methyl-benzoyl)-thiourea;DTXSID80980811;STK173310;AKOS001640432;AG-690/15430667;SR-01000466041;SR-01000466041-1;N-(6-Methyl-1,3-benzothiazol-2-yl)-N'-(4-methylbenzoyl)thiourea;3-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)-1-(4-METHYLBENZOYL)THIOUREA;N-(6-Methyl-1,3-benzothiazol-2-yl)-N'-(4-methylbenzoyl)thiourea #;4-Methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzene-1-carboximidic acid

Chemical Property of 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.376g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 341.06565446
• Heavy Atom Count: 23
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C

Technology Process of 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

There total 2 articles about 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide 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: 38.0%

1-methyl-1,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (36185-38-3) → 7-chloro-1-methyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine (6389-77-1)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; at 110 ℃; for 2h;

Reference yield:

→ 7-chloro-1-methyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine (6389-77-1)

Guidance literature:

6-Hydroxy-7-methyl-8-aza-pyrin,POCl3;

DOI:10.1039/c19660000243

Reference yield: 80.0%

7-chloro-1-methyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine (6389-77-1) + (1r,4r)-4-(morpholin-4-yl)cyclohexan-1-amine dihydrochloride (412356-24-2,1683576-26-2) → 1-methyl-N-((1r,4r)-4-morpholinocyclohexyl)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Guidance literature:

With sodium carbonate; In acetonitrile; at 70 ℃; for 8h;

upstream raw materials:

1-methyl-1,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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