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| IUPAC Name: | tert-butyl 23-oxo-23λ4-thia-24-azahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaene-24-carboxylate |
| Description: | Pentacene-N-sulfinyl-tert-butylcarbamate (CAS# 794586-44-0 ) is a useful research chemical. |
| Molecular Weight: | 441.54 |
| Molecular Formula: | C27H23NO3S |
| Canonical SMILES: | CC(C)(C)OC(=O)N1C2C3=CC4=CC=CC=C4C=C3C(S1=O)C5=CC6=CC=CC=C6C=C25 |
| InChI: | InChI=1S/C27H23NO3S/c1-27(2,3)31-26(29)28-24-20-12-16-8-4-6-10-18(16)14-22(20)25(32(28)30)23-15-19-11-7-5-9-17(19)13-21(23)24/h4-15,24-25H,1-3H3 |
| InChI Key: | VQUHUWBRYQBGLV-UHFFFAOYSA-N |
| Purity: | 99 % |
| Solubility: | Soluble in THF |
| LogP: | 7.20320 |
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3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
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