N-Cyclohexyl-2-benzothiazolesulfenamide

Base Information

• Chemical Name: N-Cyclohexyl-2-benzothiazolesulfenamide
• CAS No.: 95-33-0
• Deprecated CAS: 108251-59-8,156014-54-9,51540-81-9,929698-33-9,75301-39-2,2087514-33-6,156014-54-9,51540-81-9,929698-33-9
• Molecular Formula: C13H16N2S2
• Molecular Weight: 264.415
• Hs Code.: 2934.20
• European Community (EC) Number: 202-411-2
• NSC Number: 4809
• UNII: UCA53G94EV
• DSSTox Substance ID: DTXSID5020360
• Nikkaji Number: J3.562I
• Wikidata: Q4445828
• Metabolomics Workbench ID: 154862
• ChEMBL ID: CHEMBL1591074
• Mol file: 95-33-0.mol

Synonyms:N-cyclohexyl-2-benzothiazolesulfenamide;N-cyclohexyl-2-benzothiazyl sulfenamide;N-cyclohexyl-2-benzothiazylsulfenamide;thiohexam

Chemical Property of N-Cyclohexyl-2-benzothiazolesulfenamide

Chemical Property:

• Vapor Pressure: 6.04E-07mmHg at 25°C
• Melting Point: 93-100 °C
• Refractive Index: 1.665
• Boiling Point: 410.4 °C at 760 mmHg
• PKA: 0.59±0.10(Predicted)
• Flash Point: 202 °C
• PSA: 78.46000
• Density: 1.26 g/cm³
• LogP: 4.61660
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetatae (Slightly)
• Water Solubility.: Insoluble
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 264.07549087
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

CBS ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi,N
• Statements: 36/37/38-50/53-43
• Safety Statements: 26-36/37/39-61-60-37-24

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Rubber Additives
• Canonical SMILES: C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
• Description: N-Cyelohexyl-2-benzothiazylsulfenamide is a rubber accelerator chemical. The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and building industries.
• Uses: N-Cyclohexylbenzo[d]thiazole-2-sulfonamide is useful for the production of sulfur-modified chloroprene rubber.

Technology Process of N-Cyclohexyl-2-benzothiazolesulfenamide

There total 15 articles about N-Cyclohexyl-2-benzothiazolesulfenamide 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: 100.0%

di(benzothiazol-2-yl)disulfide (120-78-5) + cyclohexylamine (108-91-8,157973-60-9) → N-(cyclohexyl)benzothiazole-2-sulfenamide (95-33-0)

Guidance literature:

With sodium hydroxide; In water; toluene;

Reference yield: 99.5%

benzothiazole sulfenamide (2801-21-0) + cyclohexylamine (108-91-8,157973-60-9) → N-(cyclohexyl)benzothiazole-2-sulfenamide (95-33-0)

Guidance literature:

benzothiazole sulfenamide; cyclohexylamine; In water; at 30 - 40 ℃; for 3h;

With sodium hydroxide; In water; at 35 - 85 ℃; for 1.5h; Reagent/catalyst; Concentration;

Reference yield: 97.2%

cyclohexylamine (108-91-8,157973-60-9) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8) → N-(cyclohexyl)benzothiazole-2-sulfenamide (95-33-0)

Guidance literature:

With (tetraphenylporphyrin)copper(II); oxygen; In tetrachloromethane; at 35 ℃; for 0.5h; under 2625.26 Torr; Pressure; Solvent; Temperature; Molecular sieve; Autoclave;

upstream raw materials:

benzothiazole sulfenamide

cyclohexylamine

N-chlorocyclohexanamine

sodium 2-mercaptobenzothiazole

Downstream raw materials:

bis-benzothiazol-2-ylsulfanyl-cyclohexyl-amine

N-cyclohexyl-N'-phenylurea

2-thioxo-3H-1,3-benzothiazole

isothiocyanatocyclohexane

Refernces

• 1、 -. "Method for preparing sulfenamide rubber vulcanization accelerator by heterogeneous catalysis of oxidation of molecular oxygen". Paragraph 0025. . Retrieved 2021/08/07.
• 2、 -. "Method for synthesizing N-cyclohexyl-2-benzothiazolylsulfenamide through cobalt catalyst oxygen method". Sheet 0021-0028. . Retrieved 2019/10/17.