Ethyl-cysteine

Base Information

• Chemical Name: Ethyl-cysteine
• CAS No.: 2629-59-6
• Molecular Formula: C5H11 N O2 S
• Molecular Weight: 149.214
• Hs Code.: 2930909090
• NSC Number: 49244
• DSSTox Substance ID: DTXSID40859751
• Nikkaji Number: J3.031.891I
• ChEMBL ID: CHEMBL1978461
• Mol file: 2629-59-6.mol

Synonyms:ETHYL-CYSTEINE;NSC49244;2-amino-3-ethylsulfanylpropanoic acid;NSC-49244;2-amino-3-(ethylthio)propanoic acid;S-Ethyl-DL-cysteine;SCHEMBL685448;CHEMBL1978461;DTXSID40859751;AKOS000168838;2-amino-3-ethylsulfanyl-propanoic acid;NCI60_004182;FT-0693921

Chemical Property of Ethyl-cysteine

Chemical Property:

• Vapor Pressure: 0.00908mmHg at 25°C
• Melting Point: 260°C
• Boiling Point: 289.2°Cat760mmHg
• PKA: pK1:2.03(+1);pK2:8.60(0) (25°C,μ=0.1)
• Flash Point: 128.7°C
• PSA: 88.62000
• Density: 1.206g/cm³
• LogP: 0.85170
• Storage Temp.: −20°C
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 149.05104977
• Heavy Atom Count: 9
• Complexity: 97

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCC(C(=O)O)N

Technology Process of Ethyl-cysteine

There total 9 articles about Ethyl-cysteine 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: 89.0%

ethyl bromide (74-96-4) + L-Cysteine (52-90-4) → S-ethyl-L-cysteine (2629-59-6)

Guidance literature:

With N,N,N',N'-tetramethylguanidine; In tetrahydrofuran; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.08.097

Reference yield: 83.0%

L-serin (56-45-1,83245-15-2) + ethanethiol (75-08-1) → S-ethyl-L-cysteine (2629-59-6)

Guidance literature:

With potassium phosphate buffer; pyridoxal 5'-phosphate; at 37 ℃; for 12h; α₂β₂ complex of tryptophan synthase from Escherichia coli;

Reference yield: 57.0%

ethyl bromide (74-96-4) + l-cysteine hydrochloride (52-89-1) → S-ethyl-L-cysteine (2629-59-6)

Guidance literature:

With sodium hydroxide; In ethanol; water;

DOI:10.1021/jacs.9b07223

upstream raw materials:

ethyl bromide

L-Cysteine

diethyl sulfate

ethyl iodide

Downstream raw materials:

S-ethyl-L-cysteine sulfoxide

N-(N-acetyl-sulfanilyl)-S-ethyl-L-cysteine

N-<3-(acetylthio)-2-benzylpropanoyl>-S-ethyl-L-cysteine

(R)-3-Ethylsulfanyl-2-(2-methylsulfanylmethyl-3-phenyl-propionylamino)-propionic acid