4-(2-oxo-1,3-benzothiazol-3-yl)butanenitrile
Modify Date: 2025-09-15 17:27:59
4-(2-oxo-1,3-benzothiazol-3-yl)butanenitrile structure
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Common Name | 4-(2-oxo-1,3-benzothiazol-3-yl)butanenitrile | ||
|---|---|---|---|---|
| CAS Number | 61516-69-6 | Molecular Weight | 218.27500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H10N2OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 4-(2-oxo-1,3-benzothiazol-3-yl)butanenitrile |
|---|
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.27500 |
| Exact Mass | 218.05100 |
| PSA | 74.03000 |
| LogP | 2.36678 |
| InChIKey | XXFSCCJBURGNMI-UHFFFAOYSA-N |
| SMILES | N#CCCCn1c(=O)sc2ccccc21 |
|
~94%
4-(2-oxo-1,3-be... CAS#:61516-69-6 |
| Literature: D'Amico, John J.; Bollinger, Frederic G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1487 - 1496 |
