(3aS)-hexahydro-1λ⁶-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione
Structure Info
- Chemspace ID
- CSSB00016168935 (In-Stock Building Blocks)
- CAS
- 176673-08-8, 243469-66-1
- MFCD
- MFCD18833480, MFCD35089869
- IUPAC Name
- (3aS)-hexahydro-1λ⁶-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione
- Mol formula
- C5H8N2O3S
- Mol weight
- 176 Da
- Catalog Number(s)
- ACM176673088, AE94306, AGN-PC-0QB06X, AKOS027400637, AKOS040935366, AR00AM9A, BBV-38730885, BD526761, CS-0565751, CSC016168935, EN300-1268320, ST00AN12, TX00AMPY, Y3149037, Z1216855839, ZXC244852
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.24
- Heavy atoms count
- 11
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.8
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of (3aS)-hexahydro-1λ⁶-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione (C5H8N2O3S) - CSSB00016168935](/st/structure/200/53ed6c397d93f23be6284858eb061a55/O%253DC1NS%2528%253DO%2529%2528%253DO%2529N2CCC%255BC%2540%2540H%255D12.png "C5H8N2O3S")
- Zoom the structure
- CSSB00016168935
Items Overall 28 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 245.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 366.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 524.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 824.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,057.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 2,071.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 3,065.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 4,545.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 245.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 366.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 524.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 824.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 1,057.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 2,071.00 | |
| 1st Scientific CN | 7 days | China To: | 95 | 50 mg | 336.60 | |
| 1st Scientific CN | 7 days | China To: | 95 | 100 mg | 477.40 | |
| 1st Scientific CN | 7 days | China To: | 95 | 250 mg | 660.00 | |
| 1st Scientific CN | 7 days | China To: | 95 | 500 mg | 1,007.60 | |
| 1st Scientific CN | 7 days | China To: | 95 | 1 g | 1,277.10 | |
| 1st Scientific CN | 7 days | China To: | 95 | 2.5 g | 2,450.80 | |
| 1st Scientific CN | 7 days | China To: | 95 | 5 g | 3,602.50 | |
Description: (3aS)-hexahydro-1lambda6-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione; CAS: 176673-08-8 | ||||||
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 336.60 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 477.40 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 660.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 1,007.60 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 1,277.10 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 2,450.80 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 5 g | 3,602.50 | |
Description: (3aS)-hexahydro-1lambda6-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione; CAS: 176673-08-8 | ||||||
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Substructure Analogs
![Chemical structure of (3aS,5R)-5-hydroxy-hexahydro-1λ⁶-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione - CSSB00102954748](/st/structure/200/025b9ee73ccecff5257e3797f808c516/O%255BC%2540%2540H%255D1C%255BC%2540%2540H%255D2N%2528C1%2529S%2528%253DO%2529%2528%253DO%2529NC2%253DO.png)
Similarity Analogs
![Chemical structure of (3aR)-hexahydro-1λ⁶-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione - CSSB00102947846](/st/structure/200/e73c8efaee46130f3fb2c5c523956347/O%253DC1NS%2528%253DO%2529%2528%253DO%2529N2CCC%255BC%2540H%255D12.png)
![Chemical structure of hexahydro-1λ⁶-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione - CSSB00000064986](/st/structure/200/e21bd42ab517d440f4b8f6f1c8847dd9/O%253DC1NS%2528%253DO%2529%2528%253DO%2529N2CCCC12.png)
![Chemical structure of hexahydro-2H-1λ⁶-[1,2,5]thiadiazolo[2,3-a]pyridine-1,1,3-trione - CSSB00056422097](/st/structure/200/d73d07299cb1fcc90e01a0fb0d1af689/O%253DC1NS%2528%253DO%2529%2528%253DO%2529N2CCCCC12.png)
![Chemical structure of 5-hydroxy-hexahydro-1λ⁶-pyrrolo[1,2-b][1,2,5]thiadiazole-1,1,3-trione - CSSB00135146006](/st/structure/200/82dba273ae5e92d96fc848407467d243/OC1CC2N%2528C1%2529S%2528%253DO%2529%2528%253DO%2529NC2%253DO.png)
