Basic information
- CAS
13125-44-5- Standard SMILES
O=C(O)CCC1CCSS1- InChIKey
RGQLDLUVIDCIBI-UHFFFAOYSA-N- Molecular formula
- C6H10O2S2
- Average molar mass
- 178.3 g/mol
- Monoisotopic mass
- 178.01222156
Names & identifiers
- Preferred name
- Bisnorlipoate
- IUPAC
- 3-(dithiolan-3-yl)propanoic acid
- English name
- bisnorlipoate
- Molecular formula
- C6H10O2S2
- Molecular weight
- 178.2724
Names & synonyms
1,2-Dithiolane-3-propanoic acid13125-44-5BisnorlipoateRefChem:120483Bisnorlipoic acid3-(dithiolan-3-yl)propanoic acidBisnorthioctic acid4,6-Dithiohexanoate3-(1,2-Dithiolan-3-yl)propanoic acid4,6-Dithiohexanoic acid1,2-Dithiolane-3-propionic acidBisnorlipoic Impurity N1
Show more names
3-(1,2-Dithiolane-3-yl)propanoic acid
Lipoic Acid Impurity 18SCHEMBL6809713DTXSID209271443-(1,2-Dithiolan-3-yl)propanoicacid3-(1,2-dithiolan-3-yl)propionic acid3-(1,2-Dithiolan-3-yl)propanoic acid #
Database identifiers
- CAS
13125-44-5- PubChem CID
- 114466
- DTXSID
DTXSID20927144- Nikkaji
- J113.543K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Chemistry & industry
Applications
UsesBisnorlipoic acid is used as a reactant in the design and synthesis of dithiolane thiazolidinedione- and phenylacetic acid-based PPARγ agonists.
Suppliers1 total
济南百隆化学有限公司[email protected] · [email protected]
Related reactions
3 records
Compound notes
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