Tetrahydro-4H-thiopyran-4-one 1,1-dioxide

Basic Information

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CAS Number

17396-35-9

Molecular Formula

C5H8O3S

Molecular Weight

148.18 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

Physical State

No data available

Melting Point

170.0 to 174.0 deg-C

Boiling Point

385.1°C at 760 mmHg

Density

1.352

Flash Point

265.7±18.6 °C

Refractive Index

1.498

SMILES

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C1CS(=O)(=O)CCC1=O

InChI

InChI=1S/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2

InChIKey

XFMQGQAAHOGFQS-UHFFFAOYSA-N

LogP

-0.2359

Topological Polar Surface Area

51.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Tetrahydrothiopyran-4-one S,S-dioxide
UNII-NXW8WJT927
tetrahydro-4-thiopyrone S,S-dioxide
AC-22439
MFCD00460698
SY031873
1,1-Dioxo-tetrahydrothiopyran-4-one
tetrahydro-1lambda6-thiopyran-1,1,4-trione
W-206058
4H-Thiopyran-4-one, tetrahydro-, 1,1-dioxide
1,1-DIOXO-TETRAHYDRO-2H-THIOPYRAN-4-ONE
17396-35-9
1,1-dioxotetrahydrothiopyran-4-one
SCHEMBL190281
DTXSID60294266
FT-0649185
BAS 01062707
NSC95668
BCP08509
PB29083
HMS1677B08
NXW8WJT927
Tetrahydro-4H-thiopyran-4-one 1,1-dioxide
AKOS000189516
Tetrahydrothiopyran-4-one 1,1-dioxide
F8889-7317
EN300-42287
4-Tetrahydrothiopyranone1,1-Dioxide
1??-thiane-1,1,4-trione
1,1-dioxothian-4-one
CS-W004862

MDL Number

MFCD00460698

Customs Code

2934999090

FAQ

What is Tetrahydro-4H-thiopyran-4-one 1,1-dioxide (CAS: 17396-35-9)?

Tetrahydro-4H-thiopyran-4-one 1,1-dioxide, also known as 4H-thiopyran-4-one 1,1-dioxide, is a heterocyclic compound with a unique sulfur-containing structure. Its chemical formula is C4H4O4S. This compound is characterized by its ring structure featuring sulfur, oxygen, and carbon atoms, making it useful in various applications.

What are the main uses of Tetrahydro-4H-thiopyran-4-one 1,1-dioxide (CAS: 17396-35-9)?

Tetrahydro-4H-thiopyran-4-one 1,1-dioxide is primarily used in the pharmaceutical industry for synthesizing various compounds. It also finds applications in the chemical industry as a precursor for the production of other sulfur-containing compounds and in research for studying sulfur-containing heterocycles.

Is Tetrahydro-4H-thiopyran-4-one 1,1-dioxide (CAS: 17396-35-9) safe?

Tetrahydro-4H-thiopyran-4-one 1,1-dioxide is considered safe when handled with appropriate precautions. However, it should be stored and used in a well-ventilated area, and proper personal protective equipment (PPE) should be worn. It is flammable and may react with strong acids or bases, so care should be taken to avoid such reactions.

How should Tetrahydro-4H-thiopyran-4-one 1,1-dioxide (CAS: 17396-35-9) be stored?

Tetrahydro-4H-thiopyran-4-one 1,1-dioxide should be stored in a cool, dry, and well-ventilated area at room temperature. Avoid exposure to direct sunlight and moisture. It should be kept in sealed containers to prevent degradation. Proper storage conditions help maintain its stability and reactivity.