Ethyl amino(thioxo)acetate

Basic Information

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CAS Number

16982-21-1

Molecular Formula

C4H7NO2S

Molecular Weight

133.17 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

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

62.0 to 66.0 deg-C

Boiling Point

199.2℃ at 760 mmHg

Flash Point

74.2℃

Solubility

chloroform: soluble25mg/mL, clear to slightly hazy (colorless to orange)

Refractive Index

1.5480 (estimate)

SMILES

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CCOC(=O)C(=S)N

InChI

InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)

InChIKey

YMBMCMOZIGSBOA-UHFFFAOYSA-N

LogP

-0.16439999999999977

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

113

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl thiooxamidate
BB 0261418
amino-thioxo-acetic acid ethyl ester
NSC174676
Q-101067
Ethyl amino(sulfanylidene)acetate
ACETIC ACID, AMINOTHIOXO-, ETHYL ESTER
2-AMINO-2-THIOXO-ACETIC ACID ETHYL ESTER
CS-M2164
Ethylthiocarbamoylformate
SCHEMBL110876
F0001-0621
Thiooxamic Acid Ethyl Ester
SCHEMBL17403667
Ethyl thiooxamate, 95%
Acetic acid, 2-amino-2-thioxo-, ethyl ester
ethyl 2-amino-2-sulfanylideneacetate
FT-0649253
Ethyl thiooxamate
ethyl amino(thioxo)acetate
MFCD00074903
2-thio-oxalamic acid ethyl ester
NS00126965
ethyl 2-amino-2-thioxoacetate
ethyl 2-thiooxamate
DTXSID70369893
2-THIOOXAMIC ACID ETHYL ESTER
ethyl thiocarbamoylformate
Ethylamino(thiocarbonyl)carboxylate
AC-7151
HY-78216

MDL Number

MFCD00074903

Customs Code

2930909090

FAQ

What are the physical and chemical properties of Ethyl amino(thioxo)acetate (CAS: 16982-21-1)?

Ethyl amino(thioxo)acetate is a colorless to slightly yellow liquid with a molecular weight of approximately 134.15 g/mol. It is soluble in water and ethanol. The compound is known for its reactivity towards nucleophiles and electrophiles, making it useful in various chemical reactions. It has a pKa of about 5.5, indicating its basic nature.

How is Ethyl amino(thioxo)acetate (CAS: 16982-21-1) typically synthesized?

Ethyl amino(thioxo)acetate can be synthesized via a multistep process involving the reaction of ethyl acetoacetate with thiourea in the presence of a base such as sodium hydroxide. The key steps include the formation of an intermediate thioacetal followed by nucleophilic substitution reactions. The overall yield is typically around 70-80%, with high selectivity towards the desired product.

What industries use Ethyl amino(thioxo)acetate (CAS: 16982-21-1)?

Ethyl amino(thioxo)acetate finds applications in the pharmaceutical industry for the synthesis of certain drugs, in polymer chemistry for the modification of polymer properties, and in the development of sensors due to its reactivity. It is also used in the production of semiconductors as a dopant precursor.

What precautions should be taken when handling Ethyl amino(thioxo)acetate (CAS: 16982-21-1)?

When handling Ethyl amino(thioxo)acetate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate spill kits or absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.