2-Acetamido-3-(methylcarbamoylsulfanyl)propanoic acid

Base Information

• Chemical Name: 2-Acetamido-3-(methylcarbamoylsulfanyl)propanoic acid
• CAS No.: 103974-29-4
• Molecular Formula: C₇H₁₂N₂O₄S
• Molecular Weight: 220.249
• UNII: 8PS5N5UN47
• Mol file: 103974-29-4.mol

Synonyms:8PS5N5UN47;2-acetamido-3-(methylcarbamoylsulfanyl)propanoic acid;LAROMUSTINE METABOLITE M6;AKOS037653280;GS-8020;N-ACETYL-S-((METHYLAMINO)CARBONYL)-L-CYSTEINE;L-CYSTEINE, N-ACETYL-S-((METHYLAMINO)CARBONYL)-;(2S)-2-[N-(methylcarbamoyl)acetamido]-3-sulfanylpropanoic acid,(2S)-2-acetamido-3-[(methylcarbamoyl)sulfanyl]propanoic acid

Chemical Property of 2-Acetamido-3-(methylcarbamoylsulfanyl)propanoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: °C
• PSA: 120.80000
• Density: 1.335g/cm³
• LogP: 0.43010
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Water (Slightly, Sonicated)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 220.05177804
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

98%Min ^*data from raw suppliers

N-Acetyl-S-(N-methylcarbamoyl)-L-cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CSC(=O)NC)C(=O)O
• Isomeric SMILES: CC(=O)N[C@H](CSC(=O)NC)C(=O)O
• Uses: N-Acetyl-S-(N-MethylcarbaMoyl)-L-cysteine can be used as a urinary metabolite of the hepatotoxic experimental antitumour agent N-Methylformamide (NSC 3051) in mouse, rat and man.

Technology Process of 2-Acetamido-3-(methylcarbamoylsulfanyl)propanoic acid

There total 1 articles about 2-Acetamido-3-(methylcarbamoylsulfanyl)propanoic acid 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: 81.0%

N-acetyl-S-(N-methylcarbamoyl)cysteine methyl ester → N-acetyl-S-(N-methylcarbamoyl)-L-cysteine (103974-29-4)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 96h;