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| IUPAC Name: | 1-(isocyanomethylsulfonyl)-4-methylbenzene |
| Description: | p-Toluenesulfonylmethyl isocyanide (CAS# 36635-61-7) is used as a synthetic reagent in the preparation of variety or biologically active heterocycles such as pyrroles and imidazoles. Tosylmethyl Isocyanide is reported to inhibit [Fe]-hydrogenase with very high affinity. |
| Molecular Weight: | 195.24 |
| Molecular Formula: | C9H9NO2S |
| Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-] |
| InChI: | InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3 |
| InChI Key: | CFOAUYCPAUGDFF-UHFFFAOYSA-N |
| Boiling Point: | 400.9 ℃ at 760 mmHg |
| Melting Point: | 110-115 ℃ |
| Purity: | 95 % |
| Density: | 1.24 g/cm3 |
| Appearance: | Pale yellow to light brown crystalline powder |
| Storage: | -20 ℃ |
| MDL: | MFCD00000005 |
| LogP: | 1.95700 |
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