Tetrahydrothiophene

Base Information

• Chemical Name: Tetrahydrothiophene
• CAS No.: 110-01-0
• Molecular Formula: C4H8S
• Molecular Weight: 88.1735
• Hs Code.: 29349990
• European Community (EC) Number: 203-728-9
• ICSC Number: 0677
• NSC Number: 5272
• UN Number: 2412
• UNII: 744EHT13FM
• DSSTox Substance ID: DTXSID3047760
• Nikkaji Number: J2.444I
• Wikipedia: Tetrahydrothiophene
• Wikidata: Q412118
• Metabolomics Workbench ID: 56995
• ChEMBL ID: CHEMBL1379
• Mol file: 110-01-0.mol

Synonyms:tetrahydrothiophene;THT, thiophene

Chemical Property of Tetrahydrothiophene

Chemical Property:

• Appearance/Colour: volatile, clear, colorless liquid with a strong unpleasant odor
• Vapor Pressure: 18 mm Hg ( 25 °C)
• Melting Point: -96 °C
• Refractive Index: n20/D 1.504(lit.)
• Boiling Point: 121.5 °C at 760 mmHg
• Flash Point: 12.8 °C
• PSA: 25.30000
• Density: 0.999 g/cm³
• LogP: 1.51340
• Storage Temp.: Flammables area
• Solubility.: immiscible
• Water Solubility.: immiscible
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 88.03467143
• Heavy Atom Count: 5
• Complexity: 22.8
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.0%Min ^*data from raw suppliers

Tetrahydrothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36/38-52/53
• Safety Statements: 16-23-36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Thiophenes
• Canonical SMILES: C1CCSC1
• Effects of Short Term Exposure: The substance may cause effects on the central nervous system.
• Uses: Tetrahydrothiophene is a solvent and a fuel gas odorant used in fire safety stench warning systems in underground mines. Tetrahydrothiophene was also used as an organocatalyst for the reaction between enynediones and benzoic acid to afford highly substituted furfuryl alcohol benzoates. Tetrahydrothiophene is used as pharmaceutical and agrochemical intermediates.

Technology Process of Tetrahydrothiophene

There total 110 articles about Tetrahydrothiophene 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: 100.0%

1-oxothiolane (1600-44-8) → thiophene (110-01-0)

Guidance literature:

With N,N-dimethylthioformamide; sulfuric acid; In acetone; at 30 ℃; for 3h;

Reference yield: 98.8%

1,4-dichlorobutane (110-56-5) → thiophene (110-01-0)

Guidance literature:

With sodium sulfide; N-benzyl-N,N,N-triethylammonium chloride; In 1-methyl-pyrrolidin-2-one; at 50 - 100 ℃; Solvent; Temperature; Reagent/catalyst; Concentration;

Reference yield: 95.0%

1,4-dibromo-butane (110-52-1) → thiophene (110-01-0)

Guidance literature:

With sodium sulfide; In dimethyl sulfoxide; at 150 ℃; for 0.333333h;

upstream raw materials:

tetrahydrofuran

2,5-dihydro-thiophene

thiophene

1,4-dibromo-butane

Downstream raw materials:

1-oxothiolane

2-(acetoxy)tetrahydrothiophene

acetic anhydride

acetic acid

Refernces

Crystal structures of the gold(I) phosphinine complexes [AuCl(C ₅H₂P-2,6-Me₂-4-Ph)] and [AuCl(C ₅H₂P-2,4,6-Ph₃)]

10.5560/ZNB.2013-3155

The research focuses on the preparation and structural characterization of gold(I) phosphinine complexes, specifically [AuCl(C5H2P-2,6-Me2-4-Ph)] and [AuCl(C5H2P-2,4,6-Ph3)], using single-crystal X-ray diffraction studies. The conclusions drawn from the research indicate that in the case of [AuCl(C5H2P-2,6-Me2-4-Ph)], the molecules form crossed dimers in the crystal with a weak aurophilic interaction, while [AuCl(C5H2P-2,4,6-Ph3)] exhibits intermolecular Au···π interactions with the phosphinine ring, marking it as the first structurally characterized example of such interactions involving a heteroarene. The chemicals used in the process include gold(I) chloride, phosphinine ligands (C5H2P-2,6-Me2-4-Ph and C5H2P-2,4,6-Ph3), tetrahydrothiophene (THT), and dichloromethane as a solvent.

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