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Molecule
Phenol Red
CAS: 143-74-8 · C19H14O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 143-74-8
- Molecular Formula
- C19H14O5S
- Molecular Mass
- 354.38 g/mol
Identifiers
CAS Registry Number
143-74-8
SMILES
O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChI Key
BELBBZDIHDAJOR-UHFFFAOYSA-N
InChI
InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H
Names and Synonyms
- Phenol Red Common Name
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis- Synonym
- Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide Synonym
- Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide Synonym
- 3H-2,1-Benzoxathiole, phenol deriv. Synonym
- 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[phenol] Synonym
- 3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide Synonym
- α-Hydroxy-α,α-bis(p-hydroxyphenyl)-o-toluenesulfonic acid γ-sultone Synonym
- Phenol red Synonym
- Phenolsulfonephthalein Synonym
- Phenolsulfonphthalein Synonym
- Sulfonphthal Synonym
- Phenolsulphonphthalein Synonym
- 3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide Synonym
- Fenolipuna Synonym
- PSP (indicator) Synonym
- Sulphental Synonym
- Sulphonthal Synonym
- PSP Synonym
- TF-R 2 Synonym
- NSC 10459 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.38 g/mol | CAS Common Chemistry |
| 354.3830000000001 g/mol | RDKit | |
| 354.383 g/mol | RDKit | |
| 354.376 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenol_red | CAS Common Chemistry |
| Canonical SMILES | O=S1(=O)OC(C2=CC=C(O)C=C2)(C3=CC=C(O)C=C3)C=4C=CC=CC41 | CAS Common Chemistry |
| InChI | InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H | CAS Common Chemistry |
| InChI Key | InChIKey=BELBBZDIHDAJOR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Phenol red | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 83.83000000000001 Ų | RDKit |
| 83.83 Ų | RDKit | |
| LogP | 3.108600000000001 | RDKit |
| 3.1086 | RDKit | |
| Molar Refractivity | 90.80840000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 354.056194548 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 354.38 g/mol. Edit any field — others recompute live.
