Cresol red

Chemical Information
Cresol red is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxy-5-methylphenyl groups. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a polyphenol, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.
| CAS Number | 1733-12-6 |
| PubChem CID | 73013 |
| IUPAC Name | 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol |
| Molecular Formula | C21H18O5S |
| Molecular Weight | 382.4 |
| XLogP | 3.7 |
| Topological Polar Surface Area | 92.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 615 |
| Property | Value |
|---|---|
| Molecular Weight | 382.4 |
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 382.08749484 |
| Monoisotopic Mass | 382.08749484 |
| Topological Polar Surface Area | 92.2 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 615 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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