Methabenzthiazuron

Base Information

• Chemical Name: Methabenzthiazuron
• CAS No.: 18691-97-9
• Molecular Formula: C10H11 N3 O S
• Molecular Weight: 221.283
• Hs Code.: 29342000
• European Community (EC) Number: 242-505-0
• UNII: 82NPF43P0X
• DSSTox Substance ID: DTXSID0037570
• Nikkaji Number: J2.750B
• Wikidata: Q15632903
• Metabolomics Workbench ID: 67705
• ChEMBL ID: CHEMBL1890813
• Mol file: 18691-97-9.mol

Synonyms:methabenzthiazuron;N-(2-benzothiazolyl)-N,N'-dimethylurea;Tribunil

Chemical Property of Methabenzthiazuron

Chemical Property:

• Appearance/Colour: white crystalline solid
• Melting Point: 119-120.5°
• Refractive Index: 1.682
• Boiling Point: °Cat760mmHg
• PKA: 12.83±0.46(Predicted)
• Flash Point: 11℃
• PSA: 73.47000
• Density: 1.327 g/cm³
• LogP: 2.46280
• Storage Temp.: APPROX 4°C
• Solubility.: DMSO, Methanol (Sparingly)
• Water Solubility.: 59mg/L(20 oC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 221.06228316
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

98%Min ^*data from raw suppliers

Methabenzthiazuron ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N,T,F
• Statements: 50/53-39/23/24/25-23/24/25-11
• Safety Statements: 60-61-45-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC(=O)N(C)C1=NC2=CC=CC=C2S1
• Uses: Methabenzthiazuron is a benzothiazole and urea based herbicide used to control a spectrum of broad-leaved weeds and grasses crops. Methabenzthiazuron works via the inhibition of photosynthetic electron transport chain. Methabenzthiazuron is a benzothiazole and urea based herbicide used to control a spectrum of broad-leaved weeds and grasses crops. Methabenzthiazuron works via the inhibition of photosynthetic electro n transport chain.

Technology Process of Methabenzthiazuron

There total 3 articles about Methabenzthiazuron 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: 55.2%

2-methylaminobenzthiazole (16954-69-1) + N,N'-Dimethylurea (96-31-1) → methabenzthiazuron (18691-97-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; Isopropylbenzene; In water;

Reference yield:

2-methylaminobenzthiazole (16954-69-1) + methyl isocyanate (624-83-9) → methabenzthiazuron (18691-97-9)

Guidance literature:

Reference yield:

→ methabenzthiazuron (18691-97-9)

Guidance literature:

upstream raw materials:

2-methylaminobenzthiazole

methyl isocyanate

N,N'-Dimethylurea

Refernces

• 1、 -. "Herbicidal mixtures having a synergistic effect". . . Retrieved 2008/06/13.
• 2、 -. "Plant-protective pesticidal composition". . . Retrieved 2008/06/13.