2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethanethiol

Base Information

• Chemical Name: 2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethanethiol
• CAS No.: 66357-41-3
• Molecular Formula: C5H11N3O2S
• Molecular Weight: 177.2247

Synonyms:66357-41-3;2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethanethiol;Ethanethiol, 2-((1-(methylamino)-2-nitroethenyl)amino)-;2-[[1-(METHYLAMINO)-2-NITROETHENYL]AMINO]-ETHANETHIOL;SCHEMBL6816660;AKOS006293451

Chemical Property of 2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethanethiol

Chemical Property:

• Vapor Pressure: 0.000767mmHg at 25°C
• Boiling Point: 306.5°Cat760mmHg
• PKA: 9.74±0.10(Predicted)
• Flash Point: 139.2°C
• PSA: 108.68000
• Density: 1.189g/cm³
• LogP: 1.10580
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 177.05719778
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-[[1-(METHYLAMINO)-2-NITROETHENYL]AMINO]-ETHANETHIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=C[N+](=O)[O-])NCCS
• Isomeric SMILES: CN/C(=C\[N+](=O)[O-])/NCCS

Technology Process of 2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethanethiol

There total 3 articles about 2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethanethiol 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:

2-(nitromethylene)thiazolidine (66357-40-2) + methylamine (74-89-5) → 2-<<1-(methylamino)-2-nitroethyl>amino>ethanethiol (66357-41-3) + 3-methylamino-5,6-dihydro-2H-1,4-thiazine-2-one oxime (148639-72-9)

Guidance literature:

In ethanol; Ambient temperature;

Reference yield:

2-(nitromethylene)thiazolidine (66357-40-2) + methylamine (74-89-5) → 2-<<1-(methylamino)-2-nitroethyl>amino>ethanethiol (66357-41-3)

Guidance literature:

In ethanol; at 20 ℃; for 16h; Solvent;

Reference yield:

→ 2-<<1-(methylamino)-2-nitroethyl>amino>ethanethiol (66357-41-3)

Guidance literature:

2-Nitroaethylenthiazolidin, Methylamin;

upstream raw materials:

2-(nitromethylene)thiazolidine

methylamine

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