1-(Methylamino)-2-sulfosulfanylethane

Base Information

• Chemical Name: 1-(Methylamino)-2-sulfosulfanylethane
• CAS No.: 1000-68-6
• Molecular Formula: C₃H₉NO₃S₂
• Molecular Weight: 171.241
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70905154
• Nikkaji Number: J49.767C
• Wikidata: Q82873530
• Mol file: 1000-68-6.mol

Synonyms:1000-68-6;1-(methylamino)-2-sulfosulfanylethane;2-Methylaminoethanethiol hydrogen sulfate (ester);BRN 2241987;Thiosulfuric acid hydrogen S-[2-(methylamino)ethyl] ester;Ethanethiol, 2-methylamino-, hydrogen sulfate (ester);s-[2-(methylamino)ethyl] hydrogen sulfurothioate;C3H9NO3S2;SCHEMBL15510640;DTXSID70905154;LS-66013;Thiosulfuric acid (H2S2O3), S-[2-(methylamino)ethyl] ester

Chemical Property of 1-(Methylamino)-2-sulfosulfanylethane

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 100.08000
• Density: 1.434g/cm³
• LogP: 1.21350
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 171.00238550
• Heavy Atom Count: 9
• Complexity: 147

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCSS(=O)(=O)O

Technology Process of 1-(Methylamino)-2-sulfosulfanylethane

There total 3 articles about 1-(Methylamino)-2-sulfosulfanylethane 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-methyl-2-chloroethylamine hydrochloride (4535-90-4) → 2-Methylamino-ethanthioschwefelsaeure (1000-68-6)

Guidance literature:

With sodium hydrogencarbonate; sodium thiosulfate;

Reference yield:

methyl bromide (74-83-9) + ethanolamine (141-43-5) → 2-Methylamino-ethanthioschwefelsaeure (1000-68-6)

Guidance literature:

Multistep reaction; (i) xylene, (ii) aq. HBr, (iii) aq. Na₂S₂O₃, EtOH;

DOI:10.1021/jm00336a041

Reference yield:

→ 2-Methylamino-ethanthioschwefelsaeure (1000-68-6)

Guidance literature:

1-Methyl-aziridin, (NH4)2S2O3, Me.;

upstream raw materials:

N-methyl-2-chloroethylamine hydrochloride

methyl bromide

ethanolamine

Downstream raw materials:

S-<2-(1-Methyl-guanidino)-aethyl>-thioschwefelsaeure

3-methyl-2-iminothiazolidine