2-Methyl-2-sulfanylpropanoic acid

Basic Information

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CAS Number

4695-31-2

Molecular Formula

C4H8O2S

Molecular Weight

120.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

59-64°C

Boiling Point

194.19°C (rough estimate)

Flash Point

83.3°C

Refractive Index

1.4782 (estimate)

SMILES

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CC(C)(C(=O)O)S

InChI

InChI=1S/C4H8O2S/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

InChIKey

JTMBCYAUSCBSEY-UHFFFAOYSA-N

LogP

0.7794000000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

87.7

Synonyms & References

English

2-Thioisobutyric Acid
2-Mercapto-2-methylpropanoic acid
Mercaptoisobutyric acid
AKOS006271705
F17054
2-Mercaptoisobutyricacid
4695-31-2
2-mercaptoisobutanoic acid
A827121
2-Methyl-2-sulfanylpropanoic acid
XT2NW8D545
Propanoic acid, 2-mercapto-2-methyl-
DTXSID6063561
MFCD00797841
EINECS 225-159-5
2-methyl-2-sulfanyl-propanoic acid
UNII-XT2NW8D545
2-Mercaptoisobutyric Acid, 90per cent
SCHEMBL306968
CS-0113145
FT-0600102
NS00031652
.ALPHA.-MERCAPTOISOBUTYRIC ACID
2-Mercaptoisobutyric Acid, 90%
2-Mercapto-2-methylpropionic acid
2-Mercaptoisobutyric acid
2-Methyl-2-sulfanylpropanoic acid #
2-mercaptoisobutyric acid, AldrichCPR
EN300-148687
2-Mercaptoisobutyric
2-MERCAPTOISOBUTYRIC ACID

MDL Number

MFCD00797841

FAQ

What are the physical and chemical properties of 2-Methyl-2-sulfanylpropanoic acid (CAS: 4695-31-2)?

2-Methyl-2-sulfanylpropanoic acid is a colorless to white crystalline solid with a molecular weight of 140.24 g/mol. It has a pKa of approximately 6.3. The compound is sparingly soluble in water but soluble in common organic solvents like ethanol and acetone. It is reactive, particularly towards nucleophiles, and shows a moderate reactivity towards bases and reducing agents.

How is 2-Methyl-2-sulfanylpropanoic acid (CAS: 4695-31-2) typically synthesized?

2-Methyl-2-sulfanylpropanoic acid can be synthesized via the Strecker synthesis, involving the reaction of ethyl acetoacetate with hydrogen sulfide and ammonia in the presence of a catalyst such as potassium hydroxide. The process yields the desired compound with good selectivity and moderate to high yield, depending on reaction conditions.

What industries use 2-Methyl-2-sulfanylpropanoic acid (CAS: 4695-31-2)?

2-Methyl-2-sulfanylpropanoic acid finds applications in pharmaceuticals, where it serves as an intermediate in the synthesis of various bioactive compounds. It is also used in the production of certain polymers and as a component in sensors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-sulfanylpropanoic acid (CAS: 4695-31-2)?

When handling 2-Methyl-2-sulfanylpropanoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Fume hoods should be used during operations to minimize inhalation risks. In case of spill, neutralize with a suitable base and dispose of in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.