(3S)-3-(2-Thienylsulfanyl)butanoic acid

Basic Information

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CAS Number

133359-80-5

Molecular Formula

C8H10O2S2

Molecular Weight

202.3 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

SMILES

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CC(CC(=O)O)SC1=CC=CS1

InChI

InChI=1S/C8H10O2S2/c1-6(5-7(9)10)12-8-3-2-4-11-8/h2-4,6H,5H2,1H3,(H,9,10)/t6-/m0/s1

InChIKey

SIFFRIHCTBGQTC-LURJTMIESA-N

LogP

2.7034000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

161

Synonyms & References

English

(S)-3-(2-thienylthio)butyric acid
SCHEMBL4323776
(S)-3-(Thiophen-2-ylthio)butanoicacid
AKOS015893062
(3S)-3-thiophen-2-ylsulfanylbutanoic acid
133359-80-5
SIFFRIHCTBGQTC-LURJTMIESA-N
DTXSID40436445
(3S)-3-(thiophen-2-ylsulfanyl)butanoic acid
(S)-3-(Thiophen-2-ylthio)butanoic acid
(3S)-3-(2-thienylthio)butanoic acid
Butanoic acid,3-(2-thienylthio)-,(3S)-
Butanoic acid, 3-(2-thienylthio)-, (3S)
Butanoic acid,3-(2-thienylthio)-, (3S)-
(3S)-3-(2-thienylthio)butyric acid
(S)-3-(2-Thienylthio)butyric Acid
(S)-3-(thien-2-ylthio)butyric acid
Butanoicacid,3-(2-thienylthio)-,(S)
3-(thiophen-2-ylthio)butanoic acid
(S)-3-(2-Thienylthio)butanoic acid

MDL Number

MFCD03411620

FAQ

What are the physical and chemical properties of (3S)-3-(2-Thienylsulfanyl)butanoic acid (CAS: 133359-80-5)?

(3S)-3-(2-Thienylsulfanyl)butanoic acid is a white to off-white crystalline solid with a molecular weight of approximately 214.25 g/mol. It is slightly soluble in water and has a pKa of about 4.5, indicating it is a weak acid. It is reactive with bases and can undergo substitution reactions. Its solubility in organic solvents such as methanol and ethanol is moderate.

How is (3S)-3-(2-Thienylsulfanyl)butanoic acid (CAS: 133359-80-5) typically synthesized?

(3S)-3-(2-Thienylsulfanyl)butanoic acid can be synthesized via the reaction of 3-bromobutanoic acid with 2-thiols in the presence of a base such as potassium carbonate. The reaction is typically carried out in an aprotic solvent like dimethylformamide (DMF) at room temperature. The yield is generally moderate, and the product can be purified by recrystallization from ethanol.

What industries use (3S)-3-(2-Thienylsulfanyl)butanoic acid (CAS: 133359-80-5)?

(3S)-3-(2-Thienylsulfanyl)butanoic acid is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving sulfur-containing functionalities. It can also be used in the polymer industry for the modification of polymer properties. Additionally, it has applications in the production of sensor materials and as a precursor for semiconductor materials.

What precautions should be taken when handling (3S)-3-(2-Thienylsulfanyl)butanoic acid (CAS: 133359-80-5)?

When handling (3S)-3-(2-Thienylsulfanyl)butanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be carried out in a well-ventilated area or fume hood. Spills should be cleaned up with caution using appropriate cleanup materials. Always refer to the Material Safety Data Sheet (MSDS) for specific handling and storage instructions. This compound should be stored in a cool, dry place away from direct sunlight and heat sources.