Carbonic acid, thio-, anhydrosulfide with phenethyldithiocarbamic acid, ethyl ester

Base Information

• Chemical Name: Carbonic acid, thio-, anhydrosulfide with phenethyldithiocarbamic acid, ethyl ester
• CAS No.: 19457-13-7
• Molecular Formula: C12H15NO2S2
• Molecular Weight: 269.389
• DSSTox Substance ID: DTXSID30173094

Synonyms:BRN 5958403;Carbonic acid, thio-, anhydrosulfide with phenethyldithiocarbamic acid, ethyl ester;19457-13-7;Thiocarbonic acid anhydrosulfide with phenethyldithiocarbamic acid ethyl ester;C12H15NO2S2;DTXSID30173094;LS-52120

Chemical Property of Carbonic acid, thio-, anhydrosulfide with phenethyldithiocarbamic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 3.92E-06mmHg at 25°C
• Boiling Point: 385°C at 760 mmHg
• Flash Point: 186.7°C
• Density: 1.227g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 269.05442107
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)SC(=S)NCCC1=CC=CC=C1

Technology Process of Carbonic acid, thio-, anhydrosulfide with phenethyldithiocarbamic acid, ethyl ester

There total 2 articles about Carbonic acid, thio-, anhydrosulfide with phenethyldithiocarbamic acid, ethyl ester 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:

phenethylamine (64-04-0) → C12H15NO2S2 (19457-13-7)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 8 h / 0 °C

2: triethylamine / CHCl₃ / 1 h / Ambient temperature

With triethylamine; In chloroform; benzene;

DOI:10.1016/0223-5234(89)90011-1

Reference yield:

chloroformic acid ethyl ester (541-41-3) + Triethylammonium-(2-phenylethyl)dithiocarbamat (24954-65-2) → C12H15NO2S2 (19457-13-7)

Guidance literature:

With triethylamine; In chloroform; for 1h; Ambient temperature;

DOI:10.1016/0223-5234(89)90011-1

Reference yield:

C12H15NO2S2 (19457-13-7) → Phenethyl isothiocyanate (2257-09-2)

Guidance literature:

With hydrogenchloride; triethylamine; In chloroform;

DOI:10.1016/0223-5234(89)90011-1

upstream raw materials:

chloroformic acid ethyl ester

Triethylammonium-(2-phenylethyl)dithiocarbamat

phenethylamine

Downstream raw materials:

Phenethyl isothiocyanate

N-Phenylethyl-N'-hydroxyethylthioharnstoff

phenethylamino-2 dihydro-4,5 thiazole

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