Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester)

Base Information

• Chemical Name: Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester)
• CAS No.: 27976-10-9
• Molecular Formula: C₇H₁₅NO₃S₂
• Molecular Weight: 225.333
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20182251
• Nikkaji Number: J49.722C
• Wikidata: Q83052899
• Mol file: 27976-10-9.mol

Synonyms:27976-10-9;Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester);BRN 2837468;2-(Cyclobutylethyl)aminoethanethiol hydrogen sulfate (ester);DTXSID20182251

Chemical Property of Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 100.08000
• Density: 1.354g/cm³
• LogP: 2.38380
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 225.04933569
• Heavy Atom Count: 13
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)CNCCSS(=O)(=O)O

Technology Process of Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester)

There total 1 articles about Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester) 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:

Cyclobutanecarboxylic acid (3721-95-7) + ethanolamine (141-43-5) → Thiosulfuric acid S-[2-(cyclobutylmethyl-amino)-ethyl] ester (27976-10-9)

Guidance literature:

Multistep reaction;

DOI:10.1021/jm00296a020

upstream raw materials:

Cyclobutanecarboxylic acid

ethanolamine