Thietane

Base Information

• Chemical Name: Thietane
• CAS No.: 287-27-4
• Molecular Formula: C3H6S
• Molecular Weight: 74.1466
• Hs Code.: 2934999090
• European Community (EC) Number: 206-015-0
• NSC Number: 56443
• UNII: 1O7C19QQDB
• DSSTox Substance ID: DTXSID7059773
• Nikkaji Number: J2.563A
• Wikipedia: Thietane
• Wikidata: Q127300
• Mol file: 287-27-4.mol

Synonyms:Thietane;Trimethylene sulfide;287-27-4;THIACYCLOBUTANE;Propane, 1,3-epithio-;UNII-1O7C19QQDB;1O7C19QQDB;EINECS 206-015-0;NSC 56443;NSC-56443;1,3-epithio propane;DTXSID7059773;CHEBI:87565;NSC56443;MFCD00042751;AKOS015840983;Trimethylene sulfide, >=96.0% (GC);T0474;D92349;Q127300;J-017221

Chemical Property of Thietane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 53.1mmHg at 25°C
• Melting Point: -73.24°C
• Refractive Index: n20/D 1.510(lit.)
• Boiling Point: 94.9 °C at 760 mmHg
• Flash Point: 27 °F
• PSA: 25.30000
• Density: 1.052 g/cm³
• LogP: 1.12330
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 74.01902136
• Heavy Atom Count: 4
• Complexity: 17.2

Purity/Quality:

98% ^*data from raw suppliers

Trimethylene Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xn
• Hazard Codes: F,Xn
• Statements: 11-22
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CSC1

Technology Process of Thietane

There total 20 articles about Thietane 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: 80.0%

3-sulfanylpropanol (19721-22-3) → trimethylene sulphide (287-27-4)

Guidance literature:

With 2,2,2-triphenyl-4,5-(2',2''-biphenyleno)-1,3,2-dioxyphospholane; Ambient temperature;

Reference yield: 70.0%

1,3-dibromo-propane (109-64-8) → trimethylene sulphide (287-27-4)

Guidance literature:

With sodium sulfide; triethylhexadecylammonium chloride; In dichloromethane; water; for 3h;

DOI:10.1055/s-1982-29867

Reference yield: 65.0%

1.3-chlorobromopropane (109-70-6) → trimethylene sulphide (287-27-4) + 1,2-dithiolane (557-22-2) + polymer; monomer(s): 1-bromo-3-chloropropane

Guidance literature:

With potassium hydroxide; sulfur; hydrazine hydrate; at 65 - 70 ℃;

DOI:10.1134/S1070363206010300

upstream raw materials:

trimethylene carbonate

potassium thioacyanate

thioacetic acid S-(3-chloropropyl) ester

1.3-chlorobromopropane

Downstream raw materials:

n-butanethiol

butyl propyl sulfide

1-butylsulfanyl-3-propylsulfanyl-propane

1,4-bis(phenylthio)hexane

Refernces

• 1、 Tanaka, Shimon,Furusho, Yoshio,Endo, Takeshi. "Radical ring-opening polymerization of five-membered cyclic vinyl sulfone using p-toluenesulfonyl halides". . p. 222 - 227. Retrieved 2013.
• 2、 Mel'nikov, Mikhail Ya.,Belevskii, Vladilen N.,Kalugina, Anastasiya D.,Pergushov, Vladimir I.,Tyurin, Daniil A.. "Photochemical reactions of trimethylene sulfide radical cations in Freon matrices at 77 K". . p. 67 - 68. Retrieved 2008.
• 3、 Hanson, Peter,Hendrickx, Ramon A. A. J.,Lindsay Smith, John R.. "A kinetic investigation, supported by theoretical calculations, of steric and ring strain effects on the oxidation of sulfides and sulfoxides by dimethyldioxirane in acetone". supporting information; experimental part. p. 65 - 84. Retrieved 2011/01/07.