Ethiolate

Base Information

• Chemical Name: Ethiolate
• CAS No.: 2941-55-1
• Molecular Formula: C7H15 N O S
• Molecular Weight: 214.116
• Hs Code.: 29302000
• European Community (EC) Number: 634-821-6
• UNII: 7PT8NM2AQ8
• DSSTox Substance ID: DTXSID6041925
• Nikkaji Number: J7.945F
• Wikidata: Q27155814
• ChEMBL ID: CHEMBL3186553
• Mol file: 2941-55-1.mol

Synonyms:Ethiolate;2941-55-1;Etirox;Ethiolat;S-ethyl N,N-diethylcarbamothioate;Ethiolate [ISO];S-Ethyl diethylthiocarbamate;S-Ethyl N,N-diethylthiocarbamate;S-ETHYL DIETHYLCARBAMOTHIOATE;Caswell No. 434AA;Carbamic acid, diethylthio-, S-ethyl ester;Carbamothioic acid, diethyl-, S-ethyl ester;UNII-7PT8NM2AQ8;EPA Pesticide Chemical Code 103701;BRN 1755151;7PT8NM2AQ8;DTXSID6041925;CHEBI:82217;n,n-Diethyl(ethylsulfanyl)formamide;S 15076;S-EthylEsterN,N-Diethyl-carbamothioicAcid;4-04-00-00386 (Beilstein Handbook Reference);Prefox (Salt/Mix);S 6176 (Salt/Mix);SCHEMBL134304;CHEMBL3186553;DTXCID4021925;Tox21_301357;S-ETHYL DIETHYL(THIOCARBAMATE);AKOS006229465;NCGC00255740-01;LS-49342;CAS-2941-55-1;CS-0260948;Ethiolat, PESTANAL(R), analytical standard;S-Ethyl Ester N,N-Diethyl-carbamothioic Acid;C19095;EN300-7635661;S-15076;J-017500;Q27155814;CARBAMOTHIOIC ACID, N,N-DIETHYL-, S-ETHYL ESTER;Z1198149397

Chemical Property of Ethiolate

Chemical Property:

• Vapor Pressure: 0.146mmHg at 25°C
• Refractive Index: 1.6370 (estimate)
• Boiling Point: 215.6 °C at 760 mmHg
• PKA: -1.22±0.70(Predicted)
• Flash Point: 84.2 °C
• PSA: 45.61000
• Density: 0.992 g/cm³
• LogP: 2.20130
• Storage Temp.: APPROX 4°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 161.08743528
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

99%+ ^*data from raw suppliers

S-EthylEsterN,N-Diethyl-carbamothioicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)C(=O)SCC
• Uses: S-ethyl Ester N,N-Diethyl-carbamothioic Acid, is a herbiside and also a pesticide that has been found in avocados.

Technology Process of Ethiolate

There total 10 articles about Ethiolate 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: 97.8%

chloroethane (75-00-3) + sodium salt of diethylthiocarbamic acid (21055-93-6) → ethiolate (2941-55-1)

Guidance literature:

In water; at 80 ℃; for 0.166667h; in ultrasonic field;

Reference yield: 81.0%

sodium O-ethyl dithiocarbonate (140-90-9) + diethylammonium hydrogen sulphate (26292-53-5,72962-45-9,72962-47-1) → ethiolate (2941-55-1)

Guidance literature:

sodium O-ethyl dithiocarbonate; diethylammonium hydrogen sulphate; With dihydrogen peroxide; In water; at 45 ℃; for 1.2h; Green chemistry;

With sulfuric acid; In water; at 80 ℃; for 2.2h; pH=7; Green chemistry;

DOI:10.1007/s00706-013-1083-7

Reference yield: 79.0%

carbon monoxide (201230-82-2) + ethyl iodide (75-03-6) + diethylamine (109-89-7) → ethiolate (2941-55-1)

Guidance literature:

With sulfur; selenium; In tetrahydrofuran; 1.) 30 deg C; 2.) rt.;

DOI:10.1016/S0040-4020(01)85637-4

upstream raw materials:

N,N-diethylcarbamyl chloride

sodium thioethylate

ethyl bromide

diethylamonium N,N'-dimethylmonothiocarbamate

Downstream raw materials:

ethylamine