3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Modify Date: 2025-12-08 11:25:38
![3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Structure](https://image.chemsrc.com/caspic/192/5662-91-9.png)
3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure
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Common Name | 3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine | ||
|---|---|---|---|---|
| CAS Number | 5662-91-9 | Molecular Weight | 398.90900 | |
| Density | 1.37g/cm3 | Boiling Point | 638.6ºC at 760 mmHg | |
| Molecular Formula | C20H19ClN4OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 340ºC | |
| Name | 3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
|---|---|
| Synonym | More Synonyms |
| Density | 1.37g/cm3 |
|---|---|
| Boiling Point | 638.6ºC at 760 mmHg |
| Molecular Formula | C20H19ClN4OS |
| Molecular Weight | 398.90900 |
| Flash Point | 340ºC |
| Exact Mass | 398.09700 |
| PSA | 85.23000 |
| LogP | 5.72530 |
| Index of Refraction | 1.676 |
| InChIKey | NBZVSJANHDMWHZ-ONEGZZNKSA-N |
| SMILES | O=CC=CCC1CCCC1 |
|
~88%
3-butylsulfanyl... CAS#:5662-91-9 |
| Literature: BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda S.; KOTIAN, Pravin L.; KUMAR, V. Satish; WU, Minwan; LIN, Tsu-Hsing Patent: WO2011/31554 A2, 2011 ; Location in patent: Page/Page column 173 ; WO 2011/031554 A1 |
|
~%
3-butylsulfanyl... CAS#:5662-91-9 |
| Literature: BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda S.; KOTIAN, Pravin L.; KUMAR, V. Satish; WU, Minwan; LIN, Tsu-Hsing Patent: WO2011/31554 A2, 2011 ; WO 2011/031554 A1 |
| Precursor 3 | |
|---|---|
| DownStream 0 | |
| 1-Formyl-3-cyclopentyl-prop-1-en |
| 4-cyclopentylbut-2-enal |