5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid

Basic Information

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CAS Number

1077-27-6

Molecular Formula

C8H14O2S2

Molecular Weight

206.33 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

Basic Physical Properties

Melting Point

47 °C

Boiling Point

362.5ºC at 760mmHg

Density

1.218g/cm3

Flash Point

173ºC

Refractive Index

-114 ° (C=1, EtOH)

Vapor Pressure

0.0±1.7 mmHg at 25°C

Specific Rotation

D23 -113° (c = 1.88 in benzene)

SMILES

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C1CSSC1CCCCC(=O)O

InChI

InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1

InChIKey

AGBQKNBQESQNJD-ZETCQYMHSA-N

LogP

2.7851000000000017

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

150

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
5-[(3S)-dithiolan-3-yl]pentanoic acid
thioctic-acid
(S)-(-)-a-Lipoic Acid
(s)-(-)-alpha-lipoic acid
Z1269169215
Lopac-T-5625
EN300-7416584
(S)-alpha-Lipoic Acid
AGBQKNBQESQNJD-ZETCQYMHSA-N
s-(-)-alpha-lipoic acid
(S)-lipoic acid
S-Lipoate
CHEMBL1234071
UNII-J2Y905FQ57
A801750
L-Thioctic acid
MFCD01863481
J2Y905FQ57
FT-0658236
L-6,8-thioctic acid
(3S)-1,2-Dithiolane-3-pentanoic Acid
PD132143
AS-35195
(S)-(-)-alpha -Lipoic acid, >=97% (HPLC)
NS00120065
Thioctic acid, (-)-
1077-27-6
1,2-Dithiolane-3-pentanoic acid, (S)-
1,2-Dithiolane-3-pentanoic acid, (3S)-
(S)-1,2-Dithiolane-3-pentanoic acid

MDL Number

MFCD01863481

FAQ

What regulatory guidelines apply to 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6)?

The regulatory guidelines for 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6) include the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazardous communication, REACH regulations for its registration, evaluation, authorization, and restriction in the European Union, and FDA/EPA requirements for its use in the United States. Specific safety data sheets (SDS) and material safety data sheets (MSDS) should be consulted for detailed information.

Are there alternatives to 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6) in synthesis?

Yes, there are alternatives to 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6) in synthesis. Common alternatives include other carboxylic acids with similar functional groups, such as caprylic acid or 5-[(2R)-1,3-Dithiolan-2-yl]pentanoic acid. Other reagents that can be used include thioacetic acid and its derivatives.

What is the market or research trend for 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6)?

The market and research trends for 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6) are currently focused on its applications in pharmaceuticals and materials science. Research is exploring its use in drug development, particularly in targeting thiol-containing biomolecules. Market trends suggest increasing demand in these fields, driven by the compound's unique chemical properties.

How should waste containing 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6) be handled?

Waste containing 5-[(3S)-1,2-Dithiolan-3-yl]pentanoic acid (CAS: 1077-27-6) should be collected in appropriate containers and handled according to local, national, and international regulations. Incineration or professional waste disposal services are recommended, ensuring that all safety and environmental protection precautions are followed. Proper labeling and documentation of waste management should be maintained.