Ditophal

Base Information

• Chemical Name: Ditophal
• CAS No.: 584-69-0
• Molecular Formula: C₁₂H₁₄O₂S₂
• Molecular Weight: 254.374
• UNII: 40SR2754GL
• DSSTox Substance ID: DTXSID40207112
• Nikkaji Number: J9.437D
• Wikipedia: Ditophal
• Wikidata: Q5283696
• NCI Thesaurus Code: C65445
• ChEMBL ID: CHEMBL2104300
• Mol file: 584-69-0.mol

Synonyms:Ditophal;584-69-0;Etisul;Ditophal [INN:BAN];S,S-diethyl benzene-1,3-bis(carbothioate);ICI 15688;1,3-Dithioisophthalic acid, diethyl ester;UNII-40SR2754GL;40SR2754GL;S,S-Diethyl ester of 1,3-dithioisophthalic acid;1-S,3-S-diethyl benzene-1,3-dicarbothioate;ETIP;starbld0000997;DITOPHAL [INN];SCHEMBL2109565;CHEMBL2104300;DTXSID40207112;S,S-DIETHYL 1,3-DITHIOISOPHTHALATE;Q5283696

Chemical Property of Ditophal

Chemical Property:

• Vapor Pressure: 1E-05mmHg at 25°C
• Boiling Point: 371.9°C at 760 mmHg
• Flash Point: 157.4°C
• PSA: 84.74000
• Density: 1.191g/cm³
• LogP: 3.47320
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 254.04352203
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

DITOPHAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=O)C1=CC(=CC=C1)C(=O)SCC
• Therapeutic Function: Leprostatic

Technology Process of Ditophal

There total 4 articles about Ditophal 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:

→ Isophthalsaeure-bis-thiolethylester (584-69-0)

Guidance literature:

With water;

Reference yield:

benzene-1,3-dicarbonyl dichloride (99-63-8) + ethanethiol (75-08-1) → Isophthalsaeure-bis-thiolethylester (584-69-0)

Guidance literature:

Reference yield:

water (7732-18-5) + dithioisophthalodiimidic acid diethyl ester; hydrochloride → Isophthalsaeure-bis-thiolethylester (584-69-0) + ammonium chloride

Guidance literature:

upstream raw materials:

benzene-1,3-dicarbonyl dichloride

ethanethiol

water