1H-Indole-3-ethanethioic acid

Base Information

• Chemical Name: 1H-Indole-3-ethanethioic acid
• CAS No.: 79582-53-9
• Molecular Formula: C₁₀H₉NOS
• Molecular Weight: 191.254
• DSSTox Substance ID: DTXSID20474062
• Wikidata: Q82303830
• Mol file: 79582-53-9.mol

Synonyms:79582-53-9;1H-INDOLE-3-ETHANETHIOIC ACID;2-(1H-indol-3-yl)ethanethioic S-acid;SCHEMBL9161483;DTXSID20474062;2-(1H-indol-3-yl)ethanethioicS-acid

Chemical Property of 1H-Indole-3-ethanethioic acid

Chemical Property:

• PSA: 71.66000
• LogP: 2.16680
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.04048508
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)S

Technology Process of 1H-Indole-3-ethanethioic acid

There total 1 articles about 1H-Indole-3-ethanethioic acid 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:

indol-3-yl-thioacetic acid S-phenyl ester (61755-89-3) → indol-3-yl-thioacetic acid (79582-53-9)

Guidance literature:

With hydrogen sulfide; triethylamine; benzene;

upstream raw materials:

indol-3-yl-thioacetic acid S-phenyl ester