
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 439088-16-1 |
| Catalog No. | 2A-1194742 |
| Chinese Name | 1,1-二氧-3,3-二丁基-5-苯基-7-甲硫基-8-羟基-2,3,4,5-四氢-1,5-苯并噻氮平 |
| Molecular Formula | C24H33NO3S2 |
| Molecular Weight | 447.65 |
| Density | 1.23±0.1 g/cm3(Predicted) |
| Boiling Point | 622.7±55.0 °C(Predicted) |
| PubChem ID | 30371245 |
| SMILES | CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(O)cc2S(=O)(=O)C1 |
| InChI | InChI=1S/C24H33NO3S2/c1-4-6-13-24(14-7-5-2)17-25(19-11-9-8-10-12-19)20-15-22(29-3)21(26)16-23(20)30(27,28)18-24/h8-12,15-16,26H,4-7,13-14,17-18H2,1-3H3 |
| InChI Key | HXBVVCHHTCHIGN-UHFFFAOYSA-N |
| Transport Info | Product name: 3,3-Dibutyl-8-hydroxy-7-(methylthio)-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine 1,1-dioxide |
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