Phenylthilone

Base Information

• Chemical Name: Phenylthilone
• CAS No.: 115-55-9
• Molecular Formula: C₁₂H₁₃NO₂S
• Molecular Weight: 235.307
• Hs Code.: 2934999090
• NSC Number: 18713
• UNII: V8350F4A37
• DSSTox Substance ID: DTXSID50861744
• Nikkaji Number: J49.712F
• Wikidata: Q27291654
• NCI Thesaurus Code: C74525
• Metabolomics Workbench ID: 155840
• ChEMBL ID: CHEMBL2106881
• Mol file: 115-55-9.mol

Synonyms:Phenylthilone;Phenythilone;Thimorlone;115-55-9;2-ethyl-2-phenylthiomorpholine-3,5-dione;Dl-thimorlone;Phenythilone [INN];2-Ethyl-2-phenyl-3,5-thiamorpholinedione;Phenylthilone [USAN];NSC-18713;UNII-V8350F4A37;V8350F4A37;3,5-Thiomorpholinedione, 2-ethyl-2-phenyl-;NSC18713;3, 2-ethyl-2-phenyl-;SCHEMBL719266;CHEMBL2106881;DTXSID50861744;NSC 18713;LS-172269;2-Ethyl-2-phenyl-3,5-thiomorpholinedione #;2-Ethyl-2-phenyl-1,4-thiazine-3,5(4H,6H)-dione;Q27291654

Chemical Property of Phenylthilone

Chemical Property:

• Vapor Pressure: 4.39E-08mmHg at 25°C
• Boiling Point: 444.1°Cat760mmHg
• Flash Point: 222.4°C
• PSA: 71.47000
• Density: 1.205g/cm³
• LogP: 2.01030
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.06669983
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

98%,99%, ^*data from raw suppliers

PHENYLPROPANOLAMINE POLISTIREX 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)CS1)C2=CC=CC=C2

Technology Process of Phenylthilone

There total 3 articles about Phenylthilone 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-ethyl-2-phenyl-thiomorpholine-3,5-dione (115-55-9)

Guidance literature:

DOI:10.1021/ja01639a051

Reference yield:

→ 2-ethyl-2-phenyl-thiomorpholine-3,5-dione (115-55-9)

Guidance literature:

Reference yield:

→ 2-ethyl-2-phenyl-thiomorpholine-3,5-dione (115-55-9)

Guidance literature: