(4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid

Basic Information

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CAS Number

31090-12-7

Molecular Formula

C6H7NO2S2

Molecular Weight

189.26 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

207 ºC (dec.)

Boiling Point

363.4°Cat760mmHg

Density

2.97 (Air = 1)

Flash Point

173.6°C

SMILES

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CC1=CSC(=S)N1CC(=O)O

InChI

InChI=1S/C6H7NO2S2/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)

InChIKey

FVQQWSSTYVBNST-UHFFFAOYSA-N

LogP

1.36732

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

237

Synonyms & References

English

2-(4-Methyl-2-thioxothiazol-3(2H)-yl)acetic acid
31090-12-7
FVQQWSSTYVBNST-UHFFFAOYSA-N
DTXSID40878907
AKOS006274430
3(2H)-Thiazoleacetic acid, 4-methyl-2-thioxo-
2-(4-Methyl-2-thioxothiazol-3(2H)-yl)aceticacid
(4-methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid
A820714
SCHEMBL1737864
sodium 2H-triazole-4-thiolate
4-METHYL-2-THIOXO-3(2H)-THIAZOLEACETIC ACID
2-Mercapto-4-methyl-5-thiazoleacetic acid
MMTA
2-mercapto-4-methyl-1,3-thiazol-5-yl-acetic acid
2-MERCAPTO-4-METHYL-1,3-THIAZOL-5-YL- ACETIC ACID (MMTA)
4-methyl-2-thioxo-3(2H)-Thiazoleacetic acid
2-Mercapto-4-methyl-1,3-thiazo
2-MERCAPTO-4-METHYLTHIAZOLE-5-ACETIC ACID
2-Mercaptp-4-methyl-1,3-thiazol-5-yl-acetic acid

MDL Number

MFCD00179044

Customs Code

2934100090

FAQ

What are the physical and chemical properties of (4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid (CAS: 31090-12-7)?

(4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid is a crystalline compound with a molecular weight of approximately 191.22 g/mol. It has a low water solubility and exhibits good reactivity, particularly in nucleophilic substitution reactions. This compound is often used in pharmaceutical and chemical applications due to its unique structural features.

How is (4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid (CAS: 31090-12-7) typically synthesized?

(4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid can be synthesized through a multi-step process involving the reaction of 2-thioxo-1,3-thiazol-4(2H)-yl)acetic acid with methyl iodide. This synthesis typically requires the use of a catalyst and involves careful control of reaction conditions to ensure high yield and selectivity.

What industries use (4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid (CAS: 31090-12-7)?

(4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in the polymer industry for the development of new materials with specific properties. Additionally, it has applications in sensor technology and semiconductor manufacturing due to its unique chemical structure.

What precautions should be taken when handling (4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid (CAS: 31090-12-7)?

When handling (4-Methyl-2-thioxo-1,3-thiazol-3(2H)-yl)acetic acid, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area, such as a fume hood, to minimize inhalation risks. In the event of a spill, immediately clean up the area using appropriate safety protocols and consult the material safety data sheet (MSDS) for further instructions. Storage should be in a cool, dry place, away from direct sunlight and heat sources.