Ethyl N-(thioxomethylene)glycinate

Basic Information

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CAS Number

24066-82-8

Molecular Formula

C5H7NO2S

Molecular Weight

145.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

No data available

Boiling Point

215°C

Refractive Index

n20/D 1.502(lit.)

SMILES

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CCOC(=O)CN=C=S

InChI

InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3

InChIKey

IYPSSPPKMLXXRN-UHFFFAOYSA-N

LogP

0.6523

Topological Polar Surface Area

38.66 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

140

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

SCHEMBL2042195
FT-0626197
ACETIC ACID, ISOTHIOCYANATO-, ETHYL ESTER
NS00122426
J-650315
Carbethoxymethylisothiocyanate
DTXSID40885252
FS-4463
Ethyl isothiocyanatoacetate, 97%
MFCD00060677
J-519531
Acetic acid, 2-isothiocyanato-, ethyl ester
ethoxycarbonylmethylisothiocyanate
AKOS003354685
Ethoxycarbonylmethyl Isothiocyanate
Ethyl 2-isothiocyanatoacetate
Acetic acid,2-isothiocyanato-, ethyl ester
D91182
Carbethoxymethyl isothiocyanate
Isothiocyanato-acetic acid ethyl ester
Ethyl isothiocyanoacetate
I0558
24066-82-8
A4986
2-04-00-00800 (Beilstein Handbook Reference)
Ethyl isothiocyanatoacetate
BRN 0507542
J-802205
isothiocyanato-acetic acid-ethy ester
Isothiocyanatoacetic Acid Ethyl Ester
Carboethoxymethyl isothiocyanate

MDL Number

MFCD00060677

Customs Code

2930909090

FAQ

What are the physical and chemical properties of Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8)?

Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8) is a crystalline compound with a molecular weight of approximately 134.14 g/mol. It is soluble in most organic solvents but poorly soluble in water. The compound exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions. It is stable under normal laboratory conditions but should be stored in a dry environment to prevent hydrolysis.

How is Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8) typically synthesized?

Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8) is typically synthesized via the reaction of ethyl glycinate with carbon disulfide followed by hydrolysis. The reaction is catalyzed by an acid or base and proceeds with high selectivity. The yield is generally around 85-90%, depending on the reaction conditions.

What industries use Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8)?

Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It also has applications in the polymer industry for modifying the properties of plastics. Additionally, it is used in the production of sensors for detecting specific chemical compounds, and in semiconductor technology for creating specific materials.

What precautions should be taken when handling Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8)?

When handling Ethyl N-(thioxomethylene)glycinate (CAS: 24066-82-8), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a fume hood to avoid inhalation. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.