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| Chemical manufacturer | ||||
| Name | Phenyl(2-thioxo-1-azepanyl)methanone |
|---|---|
| Synonyms | phenyl(2-thioxoazepan-1-yl)methanone |
| Molecular Structure |  |
| Molecular Formula | C13H15NOS |
| Molecular Weight | 233.33 |
| CAS Registry Number | 909553-96-4 |
| SMILES | O=C(c1ccccc1)N2C(=S)CCCCC2 |
| InChI | 1S/C13H15NOS/c15-13(11-7-3-1-4-8-11)14-10-6-2-5-9-12(14)16/h1,3-4,7-8H,2,5-6,9-10H2 |
| InChIKey | MWPAIMCVIFSFGH-UHFFFAOYSA-N |
| Density | 1.196g/cm3 (Cal.) |
|---|---|
| Boiling point | 351.541°C at 760 mmHg (Cal.) |
| Flash point | 166.406°C (Cal.) |
| Refractive index | 1.616 (Cal.) |
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