5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid

Basic Information

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CAS Number

1200-22-2

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

48-52 °C

Boiling Point

362.5 °C at 760 mmHg

Density

1.218

Refractive Index

114 ° (C=1, EtOH)

Specific Rotation

+100° ~ +120° (C=1, EtOH)

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-/m1/s1

InChIKey

AGBQKNBQESQNJD-SSDOTTSWSA-N

LogP

2.7851000000000017

pKa

5.4(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

150

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Sensitive to light, heat, and air and moisture

Synonyms & References

English

(R)-5-(1,2-Dithiolan-3-yl)pentanoic acid
CHEMBL134342
DB00166
Tiobec
HY-18733R
Z1269228108
ARLIPOIC ACID
5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
Thioctic acid, d form
AKOS015892879
Thiogamma
R-alpha-Lipoic acid
HY-18733
AS-11009
SDCCGSBI-0051097.P002
GTPL4822
(R)-alpha-Lipoic acid
Tiobec Retard
CCG-205204
(+)-thioctic acid
NCGC00094396-05
Byodinoral 300
1200-22-2
(R)-1,2-Dithiolane-3-pentanoic acid
MFCD01631142
Berlition
(R)-(+)-1,2-Dithiolane-3-pentanoic acid
(+)-alpha-Lipoic acid
(R)-(+)--Lipoic acid;R-(+)-Thioctic acid
s3998
A-Lipoic acid

MDL Number

MFCD01631142

FAQ

What is 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2)?

5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2) is a sulfur-containing organic compound with the chemical formula C7H14O2S2. It features a 1,2-dithiolane ring fused with a pentanoic acid chain, making it a versatile intermediate in chemical synthesis. The compound is known for its reactivity due to the thiol group and is commonly used in research and industrial applications.

What are the main uses of 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2)?

5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2) is primarily used in pharmaceutical research as a building block for drug development, particularly in compounds targeting metabolic disorders. It also serves as an industrial intermediate for synthesizing materials and as a flavor enhancer in food applications. Additionally, it is employed in organic chemistry research for studying sulfur-containing functionalities and their reactivity.

Is 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2) safe?

5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2) is generally considered safe when handled properly, but it may cause skin or respiratory irritation. Safety precautions include using personal protective equipment (PPE), such as gloves and goggles, and working in a well-ventilated area. It is classified as a hazardous chemical under OSHA standards, requiring adherence to specific handling protocols to ensure safety.

How should 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2) be stored?

5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid (CAS: 1200-22-2) should be stored in a sealed, airtight container in a cool, dry place (15-25°C) to maintain stability. It is sensitive to moisture and light, so storage in a dark, humidity-controlled environment is recommended. Avoid exposure to air and store away from incompatible substances to ensure long-term preservation.