S-Ethyl ethanesulfonothioate

Basic Information

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CAS Number

682-91-7

Molecular Formula

C4H10O2S2

Molecular Weight

154.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

80-81°C

Density

1.1987

Refractive Index

1.512

SMILES

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CCSS(=O)(=O)CC

InChI

InChI=1S/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3

InChIKey

OICGFSUWXCJLCO-UHFFFAOYSA-N

LogP

1.0892

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

131

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethanesulfonothioicacid, S-ethyl ester
NSC22422
SCHEMBL9715494
S-Ethyl ethanethiosulfonate
Ethios
[(ETHANESULFONYL)SULFANYL]ETHANE
Ethylicin 100 microg/mL in Acetonitrile
AS-16073
MFCD00186673
1-ethylsulfonylsulfanylethane
NSC-22422
InChI=1/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H
DTXSID20878708
S-ethyl ethanesulfonothioate
Ethanesulfonic acid, S-ethyl ester
Ethylicin
1-(ethylsulfonylthio)ethane
AKOS006273893
ethanesulfonothioic acid, S-ethyl ester
A839700
NSC 22422
Ethanethiosulfonic acid ethyl ester
Ethanethiosulfonic acid S-ethyl ester
Pseudoallicin 150
682-91-7
Aethanthiosulfonsaeure-S-aethylester
ethanethiosulfonic acid S-ethyl ester
ethyl ehtylsulfonothiolate
ethyl ethanethiosulfonate
ethyl ethanethiosulphonate

MDL Number

MFCD00186673

Customs Code

2930909051

FAQ

What are the physical and chemical properties of S-Ethyl ethanesulfonothioate (CAS: 682-91-7)?

S-Ethyl ethanesulfonothioate (CAS: 682-91-7) is a colorless to light yellow liquid. It has a molecular weight of approximately 146.18 g/mol. The compound is slightly soluble in water but miscible with common organic solvents. It is moderately reactive, showing some reactivity towards strong oxidizing agents and bases. At room temperature, it is stable but should be stored away from strong acids and heat sources to avoid decomposition.

How is S-Ethyl ethanesulfonothioate (CAS: 682-91-7) typically synthesized?

S-Ethyl ethanesulfonothioate (CAS: 682-91-7) can be synthesized through the reaction of ethyl mercaptan with ethanesulfonic acid in the presence of a suitable base like sodium hydroxide or potassium carbonate. The reaction is typically carried out under mild conditions to achieve good selectivity and yield. The use of a phase transfer catalyst can improve the efficiency of the reaction.

What industries use S-Ethyl ethanesulfonothioate (CAS: 682-91-7)?

S-Ethyl ethanesulfonothioate (CAS: 682-91-7) is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also finds applications in the polymer industry for the modification of polymers, and in the semiconductor industry as a component in surface treatment processes. Additionally, it is used in the production of sensors for detecting volatile organic compounds.

What precautions should be taken when handling S-Ethyl ethanesulfonothioate (CAS: 682-91-7)?

When handling S-Ethyl ethanesulfonothioate (CAS: 682-91-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood to minimize inhalation risks. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety guidelines and emergency procedures.