S-nitroso-N-acetylcysteine

Base Information

• Chemical Name: S-nitroso-N-acetylcysteine
• CAS No.: 56577-02-7
• Molecular Formula: C5H8 N2 O4 S
• Molecular Weight: 192.196
• UNII: OZ9124L8ZV
• DSSTox Substance ID: DTXSID20972018
• Nikkaji Number: J293.779D
• Wikidata: Q82955724
• Mol file: 56577-02-7.mol

Synonyms:S-nitroso-N-acetylcysteine;S-nitrosoacetylcysteine

Chemical Property of S-nitroso-N-acetylcysteine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 2.99±0.10(Predicted)
• Flash Point: °C
• PSA: 121.13000
• Density: 1.53g/cm³
• LogP: 0.38120
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 192.02047791
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CSN=O)C(=O)O
• Isomeric SMILES: CC(=O)N[C@@H](CSN=O)C(=O)O

Technology Process of S-nitroso-N-acetylcysteine

There total 1 articles about S-nitroso-N-acetylcysteine 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:

N-acetylcystein (616-91-1,7696-05-1) → N,N'-diacetyl-L-cystine (5545-17-5) + S-nitroso-N-acetylcysteine (56577-02-7)

Guidance literature:

With hydrogenchloride; sodium nitrite; at 25 ℃;

DOI:10.1021/ac00031a014

Reference yield:

S-nitroso-N-acetylcysteine (56577-02-7) → N,N'-diacetyl-L-cystine (5545-17-5)

Guidance literature:

In water; at 25 ℃; for 19.6667h; Further Variations:; Solvents; also in the dark; Quantum yield; Kinetics; UV-irradiation;

DOI:10.1562/0031-8655(2000)071<0273:PGMRTR>2.0.CO;2

Reference yield:

N-acetylcystein (616-91-1,7696-05-1) + S-nitroso-N-acetylcysteine (56577-02-7) → N,N'-diacetyl-L-cystine (5545-17-5)

Guidance literature:

In water; at 25 ℃; Rate constant; also in the presence of var. conc. of EDTA;

DOI:10.1139/cjc-76-6-789

upstream raw materials:

N-acetylcystein

Downstream raw materials:

S-Phenylsulphonyl-N-acetyl-L-cysteine

N,N'-diacetyl-L-cystine

N-nitrosodiethanolamine

Refernces