S-(trans-1,2-Dichlorovinyl)-L-cysteine

Base Information

• Chemical Name: S-(trans-1,2-Dichlorovinyl)-L-cysteine
• CAS No.: 13419-46-0
• Molecular Formula: C₅H₇Cl₂NO₂S
• Molecular Weight: 216.088
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID501278382
• Metabolomics Workbench ID: 56673,56674
• Wikidata: Q27120671
• Mol file: 13419-46-0.mol

Synonyms:1,2-DCVC;1,2-dichlorovinyl-L-cysteine;S-(1,2-dichlorovinyl)cysteine;S-(1,2-dichlorovinyl)cysteine, L-Cys(E)-isomer;S-(2,2-dichlorovinyl)-L-cysteine

Chemical Property of S-(trans-1,2-Dichlorovinyl)-L-cysteine

Chemical Property:

• Vapor Pressure: 1.66E-05mmHg at 25°C
• Melting Point: 155-156 °C (decomp)
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 339.7°Cat760mmHg
• PKA: 2.01±0.10(Predicted)
• Flash Point: 159.2°C
• PSA: 88.62000
• Density: 1.544g/cm³
• LogP: 2.10830
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 214.9574550
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

DCVC >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of S-(trans-1,2-Dichlorovinyl)-L-cysteine

There total 1 articles about S-(trans-1,2-Dichlorovinyl)-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:

L-Cysteine (52-90-4) + Trichloroethylene (79-01-6) → S-(1,2-dichlorovinyl)-L-cysteine (13419-46-0,131907-86-3,1948-28-3,29728-72-1)

Guidance literature:

DOI:10.1021/ja01513a039

upstream raw materials:

L-Cysteine

Trichloroethylene