Acetyl sulfide

Base Information

• Chemical Name: Acetyl sulfide
• CAS No.: 3232-39-1
• Molecular Formula: C4H6O2S
• Molecular Weight: 118.156
• Hs Code.: 2930909090
• European Community (EC) Number: 221-774-8
• NSC Number: 5133
• UNII: 27W3N6DYV7
• DSSTox Substance ID: DTXSID80186058
• Nikkaji Number: J80.666H
• Wikidata: Q83057251
• Mol file: 3232-39-1.mol

Synonyms:Acetyl sulfide;3232-39-1;Acetic thioanhydride;S-acetyl ethanethioate;Diacetyl Sulfide;Diacetyl sulphide;1,1'-Thiobis-(ethane-1-one);1-(acetylsulfanyl)ethan-1-one;Ethanethioic acid, anhydrosulfide;NSC-5133;EINECS 221-774-8;ACETYLSULFIDE;diacetylsulfide;Diacetylthiamin;NSC5133;Acetic thioanhydride #;Acetyl sulfide , 95%;(CH3CO)2S;SCHEMBL479385;27W3N6DYV7;SCHEMBL3748079;DPCQJLQPDJPRCM-UHFFFAOYSA-;DTXSID80186058;NSC 5133;MFCD00008753;AKOS015903317;BS-23465;A0976;FT-0693013;T70772;EN300-7402520

Chemical Property of Acetyl sulfide

Chemical Property:

• Vapor Pressure: 15.9mmHg at 25°C
• Melting Point: 140-142 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.469
• Boiling Point: 119.5 °C at 760 mmHg
• Flash Point: 26.7 °C
• PSA: 59.44000
• Density: 1.149 g/cm³
• LogP: 0.81260
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.00885060
• Heavy Atom Count: 7
• Complexity: 85.9

Purity/Quality:

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

DiacetylSulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36-46

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)SC(=O)C

Technology Process of Acetyl sulfide

There total 29 articles about Acetyl sulfide 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: 97.1%

acetyl chloride (75-36-5) + 3-triethyl-2-methylphosphonio-2-silabutane-2-thiiolate (188970-35-6) → acetyl sulfide (3232-39-1) + [(1-dimethylchlorosilyl)ethyl]triethylphosphonium chloride

Guidance literature:

In diethyl ether; for 0.333333h; Heating;

DOI:10.1007/BF02494721

Reference yield: 97.0%

acetyl chloride (75-36-5) → acetyl sulfide (3232-39-1)

Guidance literature:

With sodium sulfide; cetyltributylphosphonium bromide; In dichloromethane; at 0 ℃; for 0.75h;

Reference yield: 75.0%

tiolacetic acid (507-09-5) → acetyl sulfide (3232-39-1)

Guidance literature:

With acetyl chloride; for 4h; Heating;

DOI:10.1021/jo00249a038

upstream raw materials:

Ketene

thioacetic acid

diacetyl-trisulfane

acetic anhydride

Downstream raw materials:

4-Mercapto-2,3,5-trimethyl-phenol

thioacetic acid

3,6-diacetoxy-2-acetylsulfanyl-toluene

benzene-1,4-diyl diacetate

Refernces

• 1、 Bailey, T. Spencer,Zakharov, Lev N.,Pluth, Michael D.. "Understanding hydrogen sulfide storage: Probing conditions for sulfide release from hydrodisulfides". supporting information. p. 10573 - 10576. Retrieved 2014/08/18.
• 2、 Borisova,Zemlyanskii,Shestakova,Khrustalev,Ustynyuk,Chernyshev. "Heteroorganic betaines 3. * Reactions of betaines containing the +P-C-Si-S- fragment". . p. 933 - 941. Retrieved 2007/10/03.