(S)-(-)-3-Acetylthio-2-methylpropionic Acid

Basic Information

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CAS Number

76497-39-7

Molecular Formula

C6H10O3S

Molecular Weight

162.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

5 ºC

Boiling Point

120-132 ºC (1 mmHg)

Density

1.178

Flash Point

162 ºC

Refractive Index

1.488-1.49

Specific Rotation

-46 º (c=1, 96% EtOH)

SMILES

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CC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1

InChIKey

VFVHNRJEYQGRGE-SCSAIBSYSA-N

LogP

0.9867999999999999

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

144

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Synonyms & References

English

MFCD00038563
(2S)-3-(acetylsulfanyl)-2-methylpropanoic acid
DTXSID501308058
VFVHNRJEYQGRGE-SCSAIBSYSA-N
(2S)-3-(Acetylthio)-2-methylpropanoic Acid
D-beta-Acetylthioisobutyric acid
BS-22299
76497-39-7
(S)-3-(Acetylthio)-2-methylpropanoic acid
(S)-(-)-3-(Acetylthio)-2-methylpropionic Acid
(S)-(-)-3-Acetylthio-2-methylpropanoic acid
D-(-)-S-Acetyl-beta-mercaptoisobutyric acid
(S)-(-)-3-(Acetylthio)isobutyric Acid
(S)-(-)-3-Acetylthio-2-methylpropionic Acid
(S)-3-(Acetylthio)-2-methylpropionic acid
(2S)-3-(Acetylthio)-2-methylpropanoic Acid; Captopril Imp. K (Pharmeuropa); Captopril Impurity G as (S)-enantiomer
W-111519
(s)-3-acetylthio-2-methylpropionicacid
(S)-(-)-3-(Acetylthio)-2-methylpropionic acid, 97%
(S)-3-Acetylsulfanyl-2-methyl-propionic acid
(2S)-3-acetylsulfanyl-2-methylpropanoic acid
AKOS015837811
NS00089520
SCHEMBL2314507
A9694
(S) -(-)-3-(Acetylthio)isobutyric acid
(2S)-3-Acetylsulfanyl-2-methyl-propanoic acid
D88420
(s)-3-acetylthio-2-methylpropionic acid
(2S)-3-acetylthio-2-methylpropionic acid
Propanoic acid, 3-(acetylthio)-2-methyl-, (2S)-

MDL Number

MFCD00038563

Customs Code

29309070

FAQ

What regulatory guidelines apply to (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7)?

Regulatory guidelines for (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7) include GHS classification, which categorizes it as a skin and eye irritant. It is also subject to REACH regulations in the EU, requiring registration for substances above 1 tonne per annum. In the USA, the FDA may regulate its use in pharmaceuticals, and the EPA may manage its environmental release and disposal. Specific handling and disposal protocols must be followed to ensure compliance with local and international regulations.

Are there alternatives to (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7) in synthesis?

Alternatives to (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7) in synthesis include other thioesters and related compounds. Common alternatives include (R)-(+)-3-Acetylthio-2-methylpropionic Acid, its enantiomer, and other 2-methylpropionic acid derivatives. These alternatives can offer similar functional groups for diverse synthetic pathways, though specific choice depends on the desired product and reaction conditions.

What is the market or research trend for (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7)?

The market for (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7) is growing due to its applications in pharmaceuticals and as a chiral intermediate. Research trends focus on its use in drug development and as a building block for stereoselective synthesis. Emerging studies also explore its potential in biocatalysis and as a precursor for chiral compounds, driven by increasing demand for chiral drugs and sustainable chemistry practices.

How should waste containing (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7) be handled?

Waste containing (S)-(-)-3-Acetylthio-2-methylpropionic Acid (CAS: 76497-39-7) should be collected in appropriate containers and stored in a well-ventilated area. For disposal, professional waste handling services should be used, especially if quantities exceed safe handling limits. Environmental precautions include minimizing spill risks and ensuring proper incineration or chemical treatment to prevent contamination of soil and water. Compliance with local waste management regulations is essential.