3-Oxo-3-(p-(phenylthio)phenyl)dithiopropionic acid

Base Information

• Chemical Name: 3-Oxo-3-(p-(phenylthio)phenyl)dithiopropionic acid
• CAS No.: 41054-41-5
• Molecular Formula: C15H12OS3
• Molecular Weight: 304.458
• European Community (EC) Number: 255-195-7
• UNII: WX9AZJ7W96
• DSSTox Substance ID: DTXSID30194022
• Nikkaji Number: J294.820F
• Wikidata: Q83066749
• Mol file: 41054-41-5.mol

Synonyms:41054-41-5;3-Oxo-3-(p-(phenylthio)phenyl)dithiopropionic acid;EINECS 255-195-7;WX9AZJ7W96;UNII-WX9AZJ7W96;3-oxo-3-[p-(phenylthio)phenyl]dithiopropanoic acid;3-Oxo-3-[p-(phenylthio)phenyl]dithiopropionic acid;SCHEMBL11823674;C15H12OS3;DTXSID30194022;C15-H12-O-S3;beta-Oxo-4-(phenylthio)benzenepropanedithioic acid;.BETA.-OXO-4-(PHENYLTHIO)BENZENEPROPANE(DITHIOIC) ACID;BENZENEPROPANE(DITHIOIC) ACID, .BETA.-OXO-4-(PHENYLTHIO)-

Chemical Property of 3-Oxo-3-(p-(phenylthio)phenyl)dithiopropionic acid

Chemical Property:

• Vapor Pressure: 8.63E-10mmHg at 25°C
• Boiling Point: 491.1°C at 760 mmHg
• Flash Point: 250.8°C
• PSA: 113.26000
• Density: 1.32g/cm³
• LogP: 4.66780
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 304.00502852
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)CC(=S)S

Technology Process of 3-Oxo-3-(p-(phenylthio)phenyl)dithiopropionic acid

There total 1 articles about 3-Oxo-3-(p-(phenylthio)phenyl)dithiopropionic 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:

sodium ter. amylate + 1-[4-(phenylthio)phenyl]ethan-1-one (10169-55-8) → 4-phenylthio-benzoyldithioacetic acid (41054-41-5)

Guidance literature:

With carbon disulfide; In benzene;

Reference yield:

4-phenylthio-benzoyldithioacetic acid (41054-41-5) + 1,2-diamino-benzene (95-54-5) → 4-(4-phenylsulfanyl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepine-2-thione (41054-49-3)

Guidance literature:

In toluene;

upstream raw materials:

1-[4-(phenylthio)phenyl]ethan-1-one

Downstream raw materials:

4-(4-phenylsulfanyl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepine-2-thione

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