Carbamodithioic acid, (4-methylphenyl)-, monoammonium salt

Base Information

• Chemical Name: Carbamodithioic acid, (4-methylphenyl)-, monoammonium salt
• CAS No.: 13036-91-4
• Molecular Formula: C8H9 N S2 . H3 N
• Molecular Weight: 200.329
• NSC Number: 34975
• DSSTox Substance ID: DTXSID10156466
• Nikkaji Number: J1.027.014F
• Mol file: 13036-91-4.mol

Synonyms:Carbamodithioic acid, (4-methylphenyl)-, monoammonium salt;AI3-31505;13036-91-4;NSC 34975;NSC34975;(4-methylphenyl)carbamodithioic acid;(p-Tolylimino)methanedithiol;C8H9NS2.H3N;SCHEMBL9192272;DTXSID10156466;NSC-34975

Chemical Property of Carbamodithioic acid, (4-methylphenyl)-, monoammonium salt

Chemical Property:

• Vapor Pressure: 0.00866mmHg at 25°C
• Boiling Point: 266.4°Cat760mmHg
• Flash Point: 114.9°C
• Density: 1.271g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 183.01764164
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)S

Technology Process of Carbamodithioic acid, (4-methylphenyl)-, monoammonium salt

There total 2 articles about Carbamodithioic acid, (4-methylphenyl)-, monoammonium salt 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: 71.0%

carbon disulfide (75-15-0,12122-00-8) + p-toluidine (106-49-0,12221-03-3) → ammonium (4-methylphenyl)carbamodithioate (13036-91-4)

Guidance literature:

With ammonium hydroxide; at 0 - 20 ℃;

DOI:10.1080/17415993.2016.1262373

Reference yield:

p-toluidine (106-49-0,12221-03-3) → ammonium (4-methylphenyl)carbamodithioate (13036-91-4)

Guidance literature:

Reference yield: 94.0%

ruthenium(III) chloride trihydrate + ammonium (4-methylphenyl)carbamodithioate (13036-91-4) → tris(N-(4-methy1phenyl)dithiocarbamato) ruthenium(III)

Guidance literature:

With water; In ethanol; for 0.75h;

DOI:10.1080/17415993.2016.1262373

upstream raw materials:

carbon disulfide

p-toluidine

Downstream raw materials:

4-hydroxy-3-(p-tolyl)thiazolidine-2-thione

p-tolyl-dithiocarbamic acid [1,3,4]thiadiazol-2-ylcarbamoyl-methyl ester

3-p-tolyl-3H-thiazolo[4,5-b]quinoxaline-2-thione

4-phenethyl-3-p-tolyl-3H-thiazole-2-thione

Refernces

• 1、 Jain, Rakesh Kumar,Mishra, Vikash Kumar,Kashaw, Varsha. "Synthesis and antimicrobial activity of some new 1,2,4-trizoles". . p. 1317 - 1322. Retrieved 2017/05/02.
• 2、 Abid, Obaid-Ur-Rahman,Babar, Tariq Mahmood,Ali, Farukh Iftakhar,Ahmed, Shahzad,Wadood, Abdul,Rama, Nasim Hasan,Uddin, Reaz,Zaheer-Ul-Haq,Khan, Ajmal,Choudhary, M. Iqbal. "Identification of novel urease inhibitors by high-throughput virtual and in vitro screening". scheme or table. p. 145 - 149. Retrieved 2010/10/19.