3-Methylthiolane

Base Information

• Chemical Name: 3-Methylthiolane
• CAS No.: 4740-00-5
• Molecular Formula: C5H10S
• Molecular Weight: 102.2
• European Community (EC) Number: 859-683-6
• DSSTox Substance ID: DTXSID20871097
• Nikkaji Number: J95.397K
• Mol file: 4740-00-5.mol

Synonyms:3-Methylthiolane;3-Methyltetrahydrothiophene;4740-00-5;Thiophene, tetrahydro-3-methyl-;3-Methylthiacyclopentane;3-methyl tetrahydrothiophene;Tetrahydro-3-methylthiophene;SCHEMBL193257;DTXSID20871097;DLABLFPCTXRQMY-UHFFFAOYSA-N;MFCD01839340;AKOS006276547;AS-39225;CS-0452737;FT-0692243;EN300-222437;A827214

Chemical Property of 3-Methylthiolane

Chemical Property:

• Vapor Pressure: 10.9mmHg at 25°C
• Melting Point: -81.16°C
• Refractive Index: 1.49
• Boiling Point: 132.5 °C at 760 mmHg
• Flash Point: 28.1 °C
• PSA: 25.30000
• Density: 0.944g/cm³
• LogP: 1.75940
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 102.05032149
• Heavy Atom Count: 6
• Complexity: 43.2

Purity/Quality:

98%min ^*data from raw suppliers

3-methylthiolane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCSC1

Technology Process of 3-Methylthiolane

There total 2 articles about 3-Methylthiolane 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:

1-phenylselenyl-2-thia-5-hexene (314056-82-1) → sulfure de pentamethylene (1613-51-0) + 3-methyltetrahydrothiophene (4740-00-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 2h;

DOI:10.1021/jo0497306

Reference yield:

1-phenylselenyl-2-thia-5-hexene (314056-82-1) → sulfure de pentamethylene (1613-51-0) + 3-methyltetrahydrothiophene (4740-00-5) + but-3-en-1-yl(methyl)sulfide (20582-83-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃; for 2h;

DOI:10.1016/S0040-4039(00)01377-0

Reference yield:

3-methyltetrahydrothiophene (4740-00-5) → 3-methylsulfolane (872-93-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

DOI:10.1021/jo0497306

upstream raw materials:

1-phenylselenyl-2-thia-5-hexene

Downstream raw materials:

1-(2,5-Dihydroxy-phenyl)-3-methyl-tetrahydro-thiophenium; chloride

1-(2,5-dihydroxyphenyl)thiolanium chloride monohydrate

3-methylsulfolane

Refernces

• 1、 Della,Graney. "Ring closure of 2-thia- and 2-sulfonyl-5-hexenyl radicals". . p. 7987 - 7990. Retrieved 2007/10/03.