3-({2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene}methyl)phenyl 4-methylbenzene-1-sulfonate
Structure Info
- Chemspace ID
- CSSB00121660239 (In-Stock Building Blocks)
- IUPAC Name
- 3-({2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene}methyl)phenyl 4-methylbenzene-1-sulfonate
- Mol formula
- C21H18N4O4S2
- Mol weight
- 455 Da
- Catalog Number(s)
- AA029C9D, BL94925, CSC121660239, ST029DSX, TX029DHT
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.4
- Heavy atoms count
- 31
- Rotatable bond count
- 5
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.142
- Polar surface area (Å)
- 112
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 1
![Chemical structure of 3-({2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene}methyl)phenyl 4-methylbenzene-1-sulfonate (C21H18N4O4S2) - CSSB00121660239](/st/structure/200/9204ab39d0478b4ffe1c23960fae41df/CCC1%253DNN2C%2528S1%2529%253DNC%2528%253DO%2529C%2528%253DCC1%253DCC%253DCC%2528OS%2528%253DO%2529%2528%253DO%2529C3%253DCC%253DC%2528C%2529C%253DC3%2529%253DC1%2529C2%253DN.png "C21H18N4O4S2")
- Zoom the structure
- CSSB00121660239
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: 3-[(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-methylbenzenesulfonate; CAS: 381701-94-6 | ||||||
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