Tetrahydro-4H-thiopyran-4-one

Basic Information

View in Editor

CAS Number

1072-72-6

Molecular Formula

C5H8OS

Molecular Weight

116.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

60-64 °C

Boiling Point

140.82°C (estimate)

Flash Point

105.5℃

Refractive Index

1.5100 (estimate)

SMILES

View in Editor

O=C1CCSCC1

InChI

InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2

InChIKey

OVRJVKCZJCNSOW-UHFFFAOYSA-N

LogP

1.0825

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

72.1

Safety Information

View Safety Information

GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Tetrahydrothiopyran-4-one
Tetrahydro-4H-thiopyran-4-one
4-Thiacyclohexanone
4-Oxothiane
Dihydro-2H-thiopyran-4(3H)-one
thian-4-one
Penthianone
THIAN-3-ONEOXIME
1-Thiacyclohexan-4-one
Tetrahydrothiopyranone
Tetrahydro-4-thiopyrone
4-Oxotetrahydrothiopyran
4-tetrahydrothiopyranone
4H-Thiopyran-4-one, tetrahydro-
Tetrahydro-1,4-thiapyrone
Tetrahydro-thiopyran-4-one
Tetrahydro-1-thio-4-pyrone
4-THIANONE
2,3,5,6-Tetrahydro-4-thiopyranone
OVRJVKCZJCNSOW-UHFFFAOYSA-N
Tetrahydro-1-thio-.gamma.-pyrone
TETRAHYD
THIAN-4-ONE
4-OXOTHIANE
4-thiacyclohexanone

MDL Number

MFCD00006660

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Tetrahydro-4H-thiopyran-4-one (CAS: 1072-72-6)?

Tetrahydro-4H-thiopyran-4-one (CAS: 1072-72-6) is a colorless liquid with a molecular weight of approximately 110.12 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, primarily undergoing nucleophilic substitution reactions and condensation polymerization. It is also known for its use in organic synthesis as a key intermediate.

How is Tetrahydro-4H-thiopyran-4-one (CAS: 1072-72-6) typically synthesized?

Tetrahydro-4H-thiopyran-4-one can be synthesized by the condensation of 1,4-dithiane and formaldehyde. The reaction is typically carried out using a Lewis acid catalyst such as boron trifluoride diglyme complex. The yield is generally good, and the method is selective, leading to a high purity product suitable for further chemical synthesis.

What industries use Tetrahydro-4H-thiopyran-4-one (CAS: 1072-72-6)?

Tetrahydro-4H-thiopyran-4-one (CAS: 1072-72-6) is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of a variety of drugs and is also used in the production of polymeric materials. Additionally, it finds applications in the development of sensors and as a component in semiconductor technology.

What precautions should be taken when handling Tetrahydro-4H-thiopyran-4-one (CAS: 1072-72-6)?

When handling Tetrahydro-4H-thiopyran-4-one (CAS: 1072-72-6), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area, away from direct sunlight and heat sources. In case of a spill, it is recommended to use a fume hood and appropriate absorbent materials, and to refer to the safety data sheet (SDS) for specific handling instructions and disposal procedures.