2-Cycloheptylaminoethanethiol hydrogen sulfate (ester)

Base Information

• Chemical Name: 2-Cycloheptylaminoethanethiol hydrogen sulfate (ester)
• CAS No.: 27976-12-1
• Molecular Formula: C₉H₁₉NO₃S₂
• Molecular Weight: 253.387
• DSSTox Substance ID: DTXSID90950666
• Nikkaji Number: J49.723A
• Wikidata: Q82928804
• Mol file: 27976-12-1.mol

Synonyms:27976-12-1;2-Cycloheptylaminoethanethiol hydrogen sulfate (ester);BRN 2841911;Ethanethiol, 2-cycloheptylamino-, hydrogen sulfate (ester);DTXSID90950666;S-[2-(Cycloheptylamino)ethyl] hydrogen sulfurothioate;Thiosulfuric acid hydrogen s-[2-(cycloheptylamino)ethyl]ester

Chemical Property of 2-Cycloheptylaminoethanethiol hydrogen sulfate (ester)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 100.08000
• Density: 1.27g/cm³
• LogP: 3.30650
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 253.08063582
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)NCCSS(=O)(=O)O

Technology Process of 2-Cycloheptylaminoethanethiol hydrogen sulfate (ester)

There total 1 articles about 2-Cycloheptylaminoethanethiol 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:

(2-Bromo-ethyl)-cycloheptyl-amine; hydrobromide → Thiosulfuric acid S-(2-cycloheptylamino-ethyl) ester (27976-12-1)

Guidance literature:

With sodium thiosulfate; In ethanol;

DOI:10.1021/jm00296a020

Refernces