m-Cresol purple
4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol
| Molecular Formula | C21H18O5S |
|---|---|
| Molecular Weight | 382.4 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 92.2 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.0875 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 2303-01-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C=C4)O)C |
| InChIKey | OLQIKGSZDTXODA-UHFFFAOYSA-N |
📖 Product Overview
m-Cresol purple (CAS: 2303-01-7) is a chemical compound with molecular formula C21H18O5S and molecular weight 382.4 g/mol. Its IUPAC systematic name is 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol.
OLQIKGSZDTXODA-UHFFFAOYSA-N.
SMILES: CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C=C4)O)C.
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