S-(1,2,3,4,4-Pentachloro-1,3-butadienyl)-L-cysteine

Base Information

• Chemical Name: S-(1,2,3,4,4-Pentachloro-1,3-butadienyl)-L-cysteine
• CAS No.: 87619-82-7
• Molecular Formula: C₇H₆Cl₅NO₂S
• Molecular Weight: 345.461
• Nikkaji Number: J448.319G,J257.810G
• Mol file: 87619-82-7.mol

Synonyms:5-(1,2,3,4,4-pentachloro-1,3-butadienyl)-L-cysteine;PCBC;S-pentachlorobuta-1,3-dien-yl-cysteine;S-pentachlorobutadienyl-L-cysteine

Chemical Property of S-(1,2,3,4,4-Pentachloro-1,3-butadienyl)-L-cysteine

Chemical Property:

• Vapor Pressure: 1.07E-06mmHg at 25°C
• Boiling Point: 376.2°C at 760 mmHg
• Flash Point: 181.3°C
• Density: 1.726g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 344.853238
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(=O)O)N)SC(=C(C(=C(Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: C([C@@H](C(=O)O)N)S/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl

Technology Process of S-(1,2,3,4,4-Pentachloro-1,3-butadienyl)-L-cysteine

There total 2 articles about S-(1,2,3,4,4-Pentachloro-1,3-butadienyl)-L-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:

S-(1,2,3,4,4-pentachlorobutadienyl)-N-acetyl-L-cysteine → S-(1,2,3,4,4-pentachloro-1,3-butadienyl)-L-cysteine (87619-82-7)

Guidance literature:

With rat kidney acylase; In phosphate buffer; at 37 ℃; for 0.5h; pH=7.4; Enzyme kinetics; Enzymatic reaction;

DOI:10.1021/tx990090p

Reference yield:

N-[acetyl-1-14-C]-S-(1,2,3,4,4-pentachloro-1,3-butadienyl)-L-cysteine + oxamic acid (471-47-6) → S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine (87619-82-7)

Guidance literature:

With Aldrey Park (Alpk/APfSD) rat kidney cytosol; In phosphate buffer; at 37 ℃; for 0.5h; pH=7.4; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1016/S0378-4274(02)00372-7

upstream raw materials:

oxamic acid

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