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Molecule
Rongalite
CAS: 149-44-0 · CH4NaO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 149-44-0
- Molecular Formula
- CH4NaO3S
- Molecular Mass
- 119.10 g/mol
Identifiers
CAS Registry Number
149-44-0
SMILES
O=S(O)CO.[Na]
InChI Key
SAJLIOLJORWJIO-UHFFFAOYSA-N
InChI
InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);
Names and Synonyms
- Rongalite Common Name
- Bruggolite E 01 Synonym
- Bruggolit E 01 Synonym
- Methanesulfinic acid, 1-hydroxy-, sodium salt (1:1) Synonym
- Sodium formaldehydesulfoxylate Synonym
- Methanesulfinic acid, hydroxy-, monosodium salt Synonym
- Formaldehyde sodium sulfoxylate Synonym
- Formopan Synonym
- Hydrolit Synonym
- Hydroxymethanesulfinic acid sodium salt Synonym
- Rongalit Synonym
- Rongalit C Synonym
- Rongalite Synonym
- Rongalite C Synonym
- Sodium hydroxymethanesulfinate Synonym
- Sodium sulfoxylate formaldehyde Synonym
- Sodium (hydroxymethyl)sulfinate Synonym
- Formaldehydesulfoxylic acid sodium salt Synonym
- Sodium methanalsulfoxylate Synonym
- Aldanil Synonym
- Formapon Synonym
- Leptacid Synonym
- C.I. Reducing Agent 2 Synonym
- Redol C Synonym
- Rodite Synonym
- Leptacit Synonym
- Bleachit D Synonym
- Superlite C Synonym
- NSC 4847 Synonym
- NSC 78331 Synonym
- Cosmolit Synonym
- Formaldehyde-sodium hydrogen sulfite Synonym
- Langqielie C Synonym
- Bruggolite SFS Synonym
- Bruggolite C Synonym
- Rongolite C Synonym
- ST Synonym
- ST (Rongalite) Synonym
- SFS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.10 g/mol | CAS Common Chemistry |
| 119.09699999999998 g/mol | RDKit | |
| 119.097 g/mol | RDKit | |
| 120.098 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Rongalite | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SAJLIOLJORWJIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-64 °C | CAS Common Chemistry |
| Name | Rongalite | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -1.2228999999999999 | RDKit |
| -1.2229 | RDKit | |
| Molar Refractivity | 23.610999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 118.97788426800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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MW = 119.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH4NaO3S.
