1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylate
Structure Info
- Chemspace ID
- CSSB00116225619 (In-Stock Building Blocks)
- CAS
- 2248384-22-5
- MFCD
- MFCD36855633
- IUPAC Name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylate
- Mol formula
- C19H13NO5S
- Mol weight
- 367 Da
- Catalog Number(s)
- BBV-159643884, CSC116225619, EN300-6518855, FCH20152705
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.84
- Heavy atoms count
- 26
- Rotatable bond count
- 5
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.105
- Polar surface area (Å)
- 77
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
![Chemical structure of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylate (C19H13NO5S) - CSSB00116225619](/st/structure/200/46b2a396e76c9bc9b6d6b0849c233572/CSCC1%253DC%2528OC2%253DCC%253DCC%253DC12%2529C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DCC%253DCC%253DC2C1%253DO.png "C19H13NO5S")
- Zoom the structure
- CSSB00116225619
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 443.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 464.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 485.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 507.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 528.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,034.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,530.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 2,269.00 |
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Substructure Analogs
![Chemical structure of 4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylate - CSSB20270128457](/st/structure/200/23ed27208cbb294e47f8e6433dd9f5aa/CSCC1%253DC%2528OC2%253DC1C%253DCC%253DC2%2529C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DC%2528Cl%2529C%2528Cl%2529%253DC%2528Cl%2529C%2528Cl%2529%253DC2C1%253DO.png)
Similarity Analogs
![Chemical structure of 2,5-dioxopyrrolidin-1-yl 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylate - CSSB20269714046](/st/structure/200/c2eb7e768ebda2f16e3c1b7d1f513d04/CSCC1%253DC%2528OC2%253DC1C%253DCC%253DC2%2529C%2528%253DO%2529ON1C%2528%253DO%2529CCC1%253DO.png)
![Chemical structure of methyl 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylate - CSSB01994036616](/st/structure/200/06e375a3e1bbeafce48c6199132daabf/COC%2528%253DO%2529C1%253DC%2528CSC%2529C2%253DCC%253DCC%253DC2O1.png)
![Chemical structure of ethyl 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylate - CSSB01997808235](/st/structure/200/ea1c4b5ec6159aa99ed35148db820c67/CCOC%2528%253DO%2529C1%253DC%2528CSC%2529C2%253DCC%253DCC%253DC2O1.png)
