nitroso (2S)-2-amino-4-sulfanylbutanoate

Base Information

• Chemical Name: nitroso (2S)-2-amino-4-sulfanylbutanoate
• CAS No.: 139427-42-2
• Molecular Formula: C4H8 N2 O3 S
• Molecular Weight: 164.185
• DSSTox Substance ID: DTXSID50930469
• Wikidata: Q31932858
• Mol file: 139427-42-2.mol

Synonyms:nitroso (2S)-2-amino-4-sulfanylbutanoate;L-Homocysteine, nitrite (ester);DTXSID50930469;2-Amino-4-sulfanylbutanoyl nitrite;Q31932858

Chemical Property of nitroso (2S)-2-amino-4-sulfanylbutanoate

Chemical Property:

• Vapor Pressure: 0.0439mmHg at 25°C
• Boiling Point: 237.8°Cat760mmHg
• Flash Point: 97.6°C
• PSA: 118.05000
• Density: 1.51g/cm³
• LogP: 0.90330
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 164.02556330
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS)C(C(=O)ON=O)N
• Isomeric SMILES: C(CS)[C@@H](C(=O)ON=O)N

Technology Process of nitroso (2S)-2-amino-4-sulfanylbutanoate

There total 1 articles about nitroso (2S)-2-amino-4-sulfanylbutanoate 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: 100.0%

L-homocysteine (6027-13-0) → S-nitroso-L-homocysteine (139427-42-2,187878-81-5)

Guidance literature:

With hydrogenchloride; sodium nitrite; at 20 ℃; for 0.25h;

DOI:10.1021/ja0430200

Reference yield:

S-nitroso-L-homocysteine (139427-42-2,187878-81-5) → L-homocystine (626-72-2,870-93-9,6027-15-2,7093-69-8,462-10-2)

Guidance literature:

With copper(II) ion; In water; at 25 ℃; Rate constant;

Reference yield:

S-nitroso-L-homocysteine (139427-42-2,187878-81-5) → L-homocystine (626-72-2,870-93-9,6027-15-2,7093-69-8,462-10-2)

Guidance literature:

With Cu₂O;

DOI:10.1039/c9sc01374a

upstream raw materials:

L-homocysteine

Downstream raw materials:

L-homocystine

Refernces

• 1、 Knipp, Markus,Braun, Oliver,Vasak, Milan. "Searching for DDAH inhibitors: S-nitroso-L-homocysteine is a chemical lead". . p. 2372 - 2373. Retrieved 2005.