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| IUPAC Name: | 3-sulfanylphenol |
| Description: | 3-Mercaptophenol (CAS# 40248-84-8) is a versatile reactant used in the study of mechanism and catalysis of the native chemical ligation reaction. It was also used as a reactant in the synthesis and biological evaluation of HSP90 inhibitors based on molecular dynamic calculated conformational analysis of radicicol and its analogs. |
| Molecular Weight: | 126.18 |
| Molecular Formula: | C6H6OS |
| Canonical SMILES: | C1=CC(=CC(=C1)S)O |
| InChI: | InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H |
| InChI Key: | DOFIAZGYBIBEGI-UHFFFAOYSA-N |
| Boiling Point: | 242-243 °C (lit.) |
| Melting Point: | 16-17 °C (lit.) |
| Density: | 1.237 g/cm3 |
| Appearance: | Yellow liquid |
| MDL: | MFCD01317829 |
| LogP: | 1.68090 |
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