5-Methylthiodimethyltryptamine

Base Information

• Chemical Name: 5-Methylthiodimethyltryptamine
• CAS No.: 5102-11-4
• Molecular Formula: C₁₃H₁₈N₂S
• Molecular Weight: 234.365
• Hs Code.: 2933990090
• UNII: 8E8PJ79K57
• DSSTox Substance ID: DTXSID50199019
• Wikipedia: 5-MeS-DMT
• Wikidata: Q4639632
• ChEMBL ID: CHEMBL31783
• Mol file: 5102-11-4.mol

Synonyms:5-methylthio-dimethyltryptamine;5-methylthiodimethyltryptamine

Chemical Property of 5-Methylthiodimethyltryptamine

Chemical Property:

• Vapor Pressure: 1.29E-06mmHg at 25°C
• Boiling Point: 400.3°C at 760 mmHg
• Flash Point: 195.9°C
• PSA: 44.33000
• Density: 1.13g/cm³
• LogP: 2.99390
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 234.11906976
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)SC

Technology Process of 5-Methylthiodimethyltryptamine

There total 1 articles about 5-Methylthiodimethyltryptamine 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-(5-methylthioindol-3-yl)ethylamine (101573-24-4) → 3--5-methylmercapto-indol (5102-11-4)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In methanol; for 2h; pH=6.5; Reflux;

DOI:10.3109/14756366.2011.595713

Reference yield:

3--5-methylmercapto-indol (5102-11-4) + 2-bromobenzylchloride (578-51-8) → C20H23BrN2S (1375501-76-0)

Guidance literature:

dimethyl-[2-(5-methylsulfanyl-indol-3-yl)-ethyl]-amine; In N,N-dimethyl-formamide; at 10 ℃; basic condition;

2-bromobenzylchloride;

DOI:10.3109/14756366.2011.595713

upstream raw materials:

formaldehyd

2-(5-methylthioindol-3-yl)ethylamine

Downstream raw materials:

C₂₀H₂₃BrN₂S

Refernces