1-Iodo-4(S-acetylthio)benzene

Base Information

• Chemical Name: 1-Iodo-4(S-acetylthio)benzene
• CAS No.: 69746-43-6
• Molecular Formula: C8H7IOS
• Molecular Weight: 278.113
• DSSTox Substance ID: DTXSID20452729
• Nikkaji Number: J1.432.316C
• Wikidata: Q82273531
• Mol file: 69746-43-6.mol

Synonyms:1-Iodo-4(S-acetylthio)benzene;S-(4-iodophenyl) ethanethioate;69746-43-6;1-Iodo-4-acetylthiobenzene;Ethanethioic acid, S-(4-iodophenyl) ester;SCHEMBL4232728;4-iodo-1-(s-acetylthio)benzene;1-Iodo-4-(S-acetylthio)benzene;DTXSID20452729;PHIUVUGKNBYJJH-UHFFFAOYSA-N;AKOS024344813;Thioacetic acid S-(4-iodophenyl) ester

Chemical Property of 1-Iodo-4(S-acetylthio)benzene

Chemical Property:

• Melting Point: 56-57 °C
• Boiling Point: 308.1±25.0 °C(Predicted)
• PSA: 42.37000
• Density: 1.80±0.1 g/cm3(Predicted)
• LogP: 2.92980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 277.92623
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)SC1=CC=C(C=C1)I

Technology Process of 1-Iodo-4(S-acetylthio)benzene

There total 11 articles about 1-Iodo-4(S-acetylthio)benzene 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: 99.0%

4-iodothiophenol (52928-01-5) + acetyl chloride (75-36-5) → 1-iodo-4-thioacetylbenzene (69746-43-6)

Guidance literature:

With pyridine; Inert atmosphere;

DOI:10.1055/s-0030-1258385

Reference yield: 86.0%

sodium thioacetate (34832-35-4) + 4-Iodobenzenediazonium o-benzenedisulfonimide → 1-iodo-4-thioacetylbenzene (69746-43-6)

Guidance literature:

In acetonitrile; at 20 - 25 ℃; for 0.0833333h;

Reference yield: 82.0%

4-iodothiophenol (52928-01-5) → 1-iodo-4-thioacetylbenzene (69746-43-6)

Guidance literature:

DOI:10.1016/0040-4039(95)00861-6

upstream raw materials:

4-iodothiophenol

acetyl chloride

4-iodobenzenediazonium tetrafluoroborate

potassium thioacetate

Downstream raw materials:

S-(4-(phenylethynyl)phenyl) ethanethioate

1-thioacetyl-4-<(trimethylsilyl)ethynyl>benzene

Thioacetic acid S-{4-[4-(4-acetylsulfanyl-phenylethynyl)-2-ethyl-phenylethynyl]-phenyl} ester

thioacetic acid S-[4-(2-ethyl-4-(phenylethynyl)phenylethynyl)phenyl] ester