
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 55272-86-1 |
| Catalog No. | 2A-3180201 |
| Chinese Name | 西咪替丁EP杂质F |
| Molecular Formula | C16H24N8S2 |
| Molecular Weight | 392.55 |
| Density | 1.35±0.1 g/cm3(Predicted) |
| Boiling Point | 713.3±70.0 °C(Predicted) |
| Melting Point | 98-101 °C |
| PubChem ID | 128800645 |
| SMILES | Cc1[nH]cnc1CSCCN=C(NC#N)NCCSCc1nc[nH]c1C |
| InChI | InChI=1S/C16H24N8S2/c1-12-14(23-10-21-12)7-25-5-3-18-16(20-9-17)19-4-6-26-8-15-13(2)22-11-24-15/h10-11H,3-8H2,1-2H3,(H,21,23)(H,22,24)(H2,18,19,20) |
| InChI Key | OFGXKQGKIOVKQW-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
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