3-Thiophenamine ethanedioate (2:1)

Basic Information

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CAS Number

861965-63-1

Molecular Formula

C10H12N2O4S2

Molecular Weight

288.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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c1cscc1N.c1cscc1N.C(=O)(C(=O)O)O

InChI

InChI=1S/2C4H5NS.C2H2O4/c2*5-4-1-2-6-3-4;3-1(4)2(5)6/h2*1-3H,5H2;(H,3,4)(H,5,6)

InChIKey

OUSJKTMSLPEDLW-UHFFFAOYSA-N

LogP

1.8161999999999996

Topological Polar Surface Area

126.64000000000001 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

118

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Thiophen-3-amine oxalate
Thiophen-3-amine oxalate(1:x)
3-AMINOTHIOPHENE OXALATE
3-Thiophenamine hemioxalate
3-Thiophenamine oxalate
3-aMinothiophen-2-yl oxalate
3-ThiophenaMine,ethanedioate
oxalic acid; thiophen-3-amine
3-AminothiopheneOxalate
thiophen-3-amineoxalate
3-Thiophenamineoxalate
PubChem14847
3-amino-thiophene oxalate
3-aminothiophene oxalate salt
Thiophen-3-amineoxalate(1:x)
XBLAYFVCUPTTOI-UHFFFAOYSA-N
EBD33623
thiophen-3-ylamine oxalic acid salt
CX1088
3-Thiophenam

MDL Number

MFCD11111630

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1)?

3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1) is a white crystalline solid with a molecular weight of approximately 214.24 g/mol. It has a solubility of about 2.5 g/L in water and is soluble in common organic solvents like ethanol and acetone. Chemically, it shows moderate reactivity typical of amine and carboxylic acid functionalities, making it suitable for various chemical transformations.

How is 3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1) typically synthesized?

3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1) can be synthesized through a multistep process involving thiophenamine and oxalic acid. The reaction typically involves heating the thiophenamine with oxalic acid in the presence of a moderate base like potassium carbonate, leading to the formation of the 2:1 complex with high selectivity and yield.

What industries use 3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1)?

3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1) is primarily used in the pharmaceutical industry for its potential in developing new therapeutics. It also finds applications in the polymer industry for its ability to enhance certain properties of polymers, and in sensor technology due to its reactivity with various analytes.

What precautions should be taken when handling 3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1)?

When handling 3-Thiophenamine ethanedioate (2:1) (CAS: 861965-63-1), it is crucial to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed information on storage and disposal.