IUPAC name
5-(1,2-dithiolan-3-yl)pentanoic acid
SMILES
OC(=O)CCCCC1CCSS1
Compound class
Vitamin B Complex; Antioxidants; Dietary Supplements; Micronutrients; Supplements; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products;
Therapeutic area
For nutritional supplementation, also for treating dietary shortage or imbalance.
Common name
Lipoic Acid
IUPAC name
5-(1,2-dithiolan-3-yl)pentanoic acid
SMILES
OC(=O)CCCCC1CCSS1
INCHI
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
FORMULA
C8H14O2S2
Common name
Lipoic Acid
IUPAC name
5-(1,2-dithiolan-3-yl)pentanoic acid
Molecular weight
206.326
clogP
2.342
clogS
-1.700
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
87.9
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF00062 | pentanoic acid |
|
CCCCC(=O)O | 0.0079 |
| FDBF00135 | (3R)-3-methyldithiolane |
|
CC1SSCC1 | 0.0003 |
| FDBF00136 | (3R)-3-ethyldithiolane |
|
C(C1SSCC1)C | 0.0003 |
| FDBF00137 | (3R)-3-propyldithiolane |
|
C(C1SSCC1)CC | 0.0003 |
| FDBF00138 | dithiolane |
|
S1SCCC1 | 0.0003 |
9 ,
1
