4,5-dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Structure Info
- Chemspace ID
- CSSB00121704078 (In-Stock Building Blocks)
- MFCD
- MFCD00643365
- IUPAC Name
- 4,5-dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
- Mol formula
- C26H22FNO5S3
- Mol weight
- 544 Da
- Catalog Number(s)
- 4477-0031, 5305502, AA02OHQX, AG-690/34649037, BT01877, CSC121704078, IBS-E0101388, OSSK_318070, ST02OJAH, STK012183, STOCK1S-25618, TX02OIZD
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.26
- Heavy atoms count
- 36
- Rotatable bond count
- 5
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.23
- Polar surface area (Å)
- 73
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
![Chemical structure of 4,5-dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate (C26H22FNO5S3) - CSSB00121704078](/st/structure/200/d7bb833f1840e5e0b716a020e8ef190b/COC%2528%253DO%2529C1%253DC%2528SC%2528S1%2529%253DC1C%2528%253DS%2529C%2528C%2529%2528C%2529N%2528C%2528%253DO%2529C2%253DCC%253DCC%2528F%2529%253DC2%2529C2%253DC%2528C%2529C%253DCC%253DC12%2529C%2528%253DO%2529OC.png "C26H22FNO5S3")
- Zoom the structure
- CSSB00121704078
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
Description: dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate; CAS: 330560-99-1 | ||||||
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