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Molecule
Folin'S Reagent
CAS: 521-24-4 · C10H6NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 521-24-4
- Molecular Formula
- C10H6NaO5S
- Molecular Mass
- 261.21 g/mol
Identifiers
CAS Registry Number
521-24-4
SMILES
O=C1C=C(S(=O)(=O)O)c2ccccc2C1=O.[Na]
InChI Key
TYGHBVITNSZMPS-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);
Names and Synonyms
- Folin'S Reagent Common Name
- 1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt (1:1) Synonym
- 1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt Synonym
- β-Naphthoquinone-4-sulfonate sodium salt Synonym
- Sodium 3,4-dihydro-3,4-dioxo-1-naphthalenesulfonate Synonym
- Sodium β-naphthoquinone-4-sulfonate Synonym
- Sodium 1,2-naphthoquinone-4-sulfonate Synonym
- 1,2-Naphthoquinone-4-sulfonic acid sodium salt Synonym
- Sodium β-naphthoquinonesulfonate Synonym
- 1,2-Naphthoquinone-4-sodium sulfonate Synonym
- Sodium 3,4-dioxo-1-naphthalenesulfonate Synonym
- Folin reagent Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.21 g/mol | CAS Common Chemistry |
| 262.211 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Folin%27s_reagent | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C1C=C(C=2C=CC=CC2C1=O)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15); | CAS Common Chemistry |
| InChI Key | InChIKey=TYGHBVITNSZMPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 287 °C (decomp) | CAS Common Chemistry |
| Name | Sodium 1,2-naphthoquinone-4-sulfonate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 88.50999999999999 Ų | RDKit |
| 88.51 Ų | RDKit | |
| LogP | 0.2999000000000001 | RDKit |
| 0.2999 | RDKit | |
| Molar Refractivity | 61.05910000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 260.98336357200003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
External Resources
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MW = 261.21 g/mol. Edit any field — others recompute live.
