2,2-Dimethylthiirane

Base Information

• Chemical Name: 2,2-Dimethylthiirane
• CAS No.: 3772-13-2
• Molecular Formula: C4H8 S
• Molecular Weight: 88.1735
• Hs Code.: 2931900090
• European Community (EC) Number: 678-553-8
• DSSTox Substance ID: DTXSID70191151
• Nikkaji Number: J599A
• Wikidata: Q83063637
• Mol file: 3772-13-2.mol

Synonyms:2,2-Dimethylthiirane;Isobutylene Sulfide;3772-13-2;Thiirane, 2,2-dimethyl-;2,2-Dimethylethylene Sulfide;Anglamol 23;Isobutenylene sulfide;Isobutylene sulfide;2,2-dimethyl-thiirane;2-Methylpropylene Sulfide;DTXSID70191151;MFCD00191662;AKOS015842118;FT-0755588;I0461;D91159;EN300-115315

Chemical Property of 2,2-Dimethylthiirane

Chemical Property:

• Refractive Index: 1.4620 to 1.4650
• Boiling Point: 86°C
• PSA: 25.30000
• Density: 0,9 g/cm3
• LogP: 1.51180
• Storage Temp.: Refrigerator
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 88.03467143
• Heavy Atom Count: 5
• Complexity: 47.6

Purity/Quality:

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

Isobutylene Sulfide ^*data from reagent suppliers

Safty Information:

• Statements: 11-23/24/25
• Safety Statements: 16-26-33-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CS1)C

Technology Process of 2,2-Dimethylthiirane

There total 5 articles about 2,2-Dimethylthiirane 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: 87.0%

→ 2,2-dimethylthiirane (3772-13-2)

Guidance literature:

Reference yield: 79.0%

2-methyl-1,2-epoxypropane (558-30-5) → 2,2-dimethylthiirane (3772-13-2)

Guidance literature:

With potassium thioacyanate; In water;

DOI:10.1021/jo070048w

Reference yield:

2-methyl-1,2-epoxypropane (558-30-5) + potassium thioacyanate (333-20-0) → 2,2-dimethylthiirane (3772-13-2)

Guidance literature:

With water;

DOI:10.1021/ja01203a033

upstream raw materials:

2-methyl-1,2-epoxypropane

potassium thioacyanate

thiourea

3-chloro-2-methylpropan-2-ol

Downstream raw materials:

4-mercapto-4-dimethylpentanoic acid

isobutene

2-[(2-bromophenyl)amino]-2-methylpropane-1-thiol

1-[(2-bromophenyl)amino]-2-methylpropane-2-thiol

Refernces

• 1、 -. "Carboxylic acid compound and preparation method and use thereof". Paragraph 0167; 0168; 0169. . Retrieved 2016/10/07.
• 2、 -. "Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use". . . Retrieved 2008/06/13.