Back to Search
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
Names and Synonyms:
Phenol Red
Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-
Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide
3H-2,1-Benzoxathiole, phenol deriv.
4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[phenol]
3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide
α-Hydroxy-α,α-bis(p-hydroxyphenyl)-o-toluenesulfonic acid γ-sultone
Phenol red
Phenolsulfonephthalein
Phenolsulfonphthalein
Sulfonphthal
Phenolsulphonphthalein
3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide
Fenolipuna
PSP (indicator)
Sulphental
Sulphonthal
PSP
TF-R 2
NSC 10459
Identifiers:
SMILES:
O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
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
Key Properties
Melting Point
>300 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.38 g/mol | CAS Common Chemistry |
| 354.3830000000001 g/mol | RDKit | |
| 354.056194548 g/mol | RDKit | |
| 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 |
| LogP | 3.108600000000001 | RDKit |
| Molar Refractivity | 90.80840000000002 | RDKit |
