5H-1,2-Oxathiole 2,2-dioxide

Basic Information

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CAS Number

21806-61-1

Molecular Formula

C3H4O3S

Molecular Weight

120.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

83.0 to 87.0 deg-C

Boiling Point

118°C/0.11mmHg

Flash Point

109 ºC

Refractive Index

1.523

SMILES

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C1C=CS(=O)(=O)O1

InChI

InChI=1S/C3H4O3S/c4-7(5)3-1-2-6-7/h1,3H,2H2

InChIKey

KLLQVNFCMHPYGL-UHFFFAOYSA-N

LogP

-0.1398999999999999

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

171

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Synonyms & References

English

5H-1,2-Oxathiole, 2,2-dioxide
MFCD12405143
1-Propene 1,3-Sultone
21806-61-1
C3H4O3S
AMY28660
EN300-117081
BCP26289
5H-1,2lambda6-oxathiole-2,2-dione
SB66825
GS-0921
prop-1-ene-1,3 sultone
DTXSID10447528
P2260
5H-1,2-Oxathiole 2,2-dioxide
1-Propene-1,3-sultone
5H-oxathiole 2,2-dioxide
J-014299
Prop-1-ene-1,3-sultone
SCHEMBL965026
SY029588
5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLICACID
CS-W003828
AKOS015998600
prop-1-ene-1,3-sultone
1,3-Propene sultone
1,3-prop-1-ene sultone
1-propene-1,3-sultone
PST
EBD25294
BBL103386

MDL Number

MFCD12405143

Customs Code

2930909090

FAQ

What is 5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1)?

5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1) is a sulfur-containing heterocyclic compound with the chemical formula C3H6O2S2. It features a five-membered oxathiole ring with two oxygen atoms attached to sulfur, making it a versatile chemical intermediate. The compound is known for its antioxidant properties and is often used in organic synthesis due to its reactivity and stability under controlled conditions.

What are the main uses of 5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1)?

5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1) is primarily utilized in pharmaceuticals for developing antioxidants and anti-inflammatory agents. It also serves as an industrial chemical intermediate in the production of dyes, pesticides, and other sulfur-containing compounds. Additionally, it is applied in research for studying reactive sulfur species and in food preservation as a stabilizer due to its chemical properties.

Is 5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1) safe?

5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1) is generally considered safe when handled properly, but it may pose mild toxicity if inhaled or ingested. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and ensuring good ventilation during handling. It is classified as a hazardous substance under certain regulations, requiring adherence to specific safety protocols to minimize risks.

How should 5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1) be stored?

5H-1,2-Oxathiole 2,2-dioxide (CAS: 21806-61-1) should be stored in a cool, dry place away from light and moisture. It is best kept in a sealed, airtight container to maintain stability and prevent degradation. Storage conditions should avoid exposure to air and heat, ensuring long-term preservation of its chemical properties and efficacy.