Dimethylaminoethanethiol S-sulfate

Base Information

• Chemical Name: Dimethylaminoethanethiol S-sulfate
• CAS No.: 14013-30-0
• Molecular Formula: C₄H₁₁NO₃S₂
• Molecular Weight: 185.268
• NSC Number: 108225
• DSSTox Substance ID: DTXSID70161238
• Wikidata: Q27124021
• Metabolomics Workbench ID: 58589
• ChEMBL ID: CHEMBL1742201
• Mol file: 14013-30-0.mol

Synonyms:Dimethylaminoethanethiol S-sulfate;14013-30-0;NSC108225;CHEBI:53208;S-2-(dimethylamino)ethyl thiosulfate;NSC 108225;BRN 1767088;S-[2-(dimethylamino)ethyl] hydrogen thiosulfate;Thiosulfuric acid, S-(2-(Dimethylamino)ethyl) ester;NSC-108225;Thiosulfuric acid (H2S2O3), S-(2-(dimethylamino)ethyl) ester (7CI,8CI,9CI);S-[2-(dimethylamino)ethyl] hydrogen sulfurothioate;S-(2-(dimethylamino)ethyl) hydrogen thiosulfate;Epitope ID:167836;NCIStruc1_000259;NCIStruc2_000058;CHEMBL1742201;SCHEMBL14058822;DTXSID70161238;CCG-38017;NCGC00014090;NCI108225;NCGC00014090-02;NCGC00097199-01;NCI60_000195;LS-153397;Q27124021;Thiosulfuric acid (H2S2O3), S-(2-(dimethylamino)ethyl) ester

Chemical Property of Dimethylaminoethanethiol S-sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.379g/cm³
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 185.01803556
• Heavy Atom Count: 10
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCSS(=O)(=O)O

Technology Process of Dimethylaminoethanethiol S-sulfate

There total 3 articles about Dimethylaminoethanethiol S-sulfate 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:

→ Dimethylaminoethanthiol-S-sulfonsaeure (14013-30-0)

Guidance literature:

With sodium thiosulfate;

DOI:10.1021/jo00823a005

Reference yield:

2-(dimethylamino)ethyl chloride (107-99-3) → Dimethylaminoethanthiol-S-sulfonsaeure (14013-30-0)

Guidance literature:

With sodium thiosulfate;

Reference yield:

→ Dimethylaminoethanthiol-S-sulfonsaeure (14013-30-0)

Guidance literature:

(CH3)2NCH2CH2SH*HCl, ClSO3H, HOAc;

DOI:10.1248/cpb.22.2725

upstream raw materials:

2-(dimethylamino)ethyl chloride

Refernces