3-methylsulfanyl-1H-indole

Base Information

• Chemical Name: 3-methylsulfanyl-1H-indole
• CAS No.: 40015-10-9
• Molecular Formula: C9H9NS
• Molecular Weight: 163.243
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60447159
• Nikkaji Number: J469.391D
• Wikidata: Q82265972
• Mol file: 40015-10-9.mol

Synonyms:3-(methylthio)-1H-indole;3-methylsulfanyl-1H-indole;40015-10-9;3-methylthioindole;3-(METHYLSULFANYL)-1H-INDOLE;SCHEMBL1920677;TVHHOXFINVVIIT-UHFFFAOYSA-;DTXSID60447159;TVHHOXFINVVIIT-UHFFFAOYSA-N;AKOS026716178;CS-0309109;EN300-157582;F2147-3051;Z1262562193;InChI=1/C9H9NS/c1-11-9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3

Chemical Property of 3-methylsulfanyl-1H-indole

Chemical Property:

• PSA: 41.09000
• LogP: 2.88980
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.04557046
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

3-(Methylthio)-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC1=CNC2=CC=CC=C21

Technology Process of 3-methylsulfanyl-1H-indole

There total 5 articles about 3-methylsulfanyl-1H-indole 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: 100.0%

dibutylamine (111-92-2) + (1H-indol-3-yl)dimethylsulfonium perchlorate → 3-methylthioindole (40015-10-9) + N-methyldibutylamine (3405-45-6)

Guidance literature:

at 159 ℃; for 1h;

DOI:10.1248/cpb.c12-00882

Reference yield: 98.1%

di-n-propylamine (142-84-7) + (1H-indol-3-yl)dimethylsulfonium perchlorate → 3-methylthioindole (40015-10-9) + N-methyldipropylamine (3405-42-3)

Guidance literature:

at 107 ℃; for 1h; Inert atmosphere;

DOI:10.1248/cpb.c12-00882

Reference yield: 98.0%

(1H-indol-3-yl)dimethylsulfonium perchlorate + diethylamine (109-89-7) → 3-methylthioindole (40015-10-9) + N,N-diethylnmethylamine (616-39-7)

Guidance literature:

at 55 ℃; for 1h;

DOI:10.1248/cpb.c12-00882

upstream raw materials:

3-methylsulfinyl-2-indolinone

dibutylamine

piperidine

di-n-propylamine

Downstream raw materials:

indole

2,3-bis(methylthio)indole

3-(methylthio)-N-(p-toluenesulfonyl)indole

2-bromo-3-methylthio-1-tosylindole

Refernces

• 1、 Wierenga, Wendell,Griffin, John,Warpehoski, Martha A.. "A VERSATILE AND EFFICIENT PROCESS TO 3-SUBSTITUTED INDOLES FROM ANILINES". . p. 2437 - 2440. Retrieved 2007/10/02.