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Rongalite
CAS: 149-44-0 | CH4NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
149-44-0
Molecular Formula:
CH4NaO3S
Molecular Mass:
119.10 g/mol
Names and Synonyms:
Rongalite
Methanesulfinic acid, 1-hydroxy-, sodium salt (1:1)
Sodium formaldehydesulfoxylate
Methanesulfinic acid, hydroxy-, monosodium salt
Formaldehyde sodium sulfoxylate
Formopan
Hydrolit
Hydroxymethanesulfinic acid sodium salt
Rongalit
Rongalit C
Rongalite
Rongalite C
Sodium hydroxymethanesulfinate
Sodium sulfoxylate formaldehyde
Sodium (hydroxymethyl)sulfinate
Formaldehydesulfoxylic acid sodium salt
Sodium methanalsulfoxylate
Aldanil
Formapon
Leptacid
C.I. Reducing Agent 2
Redol C
Rodite
Leptacit
Bleachit D
Superlite C
NSC 4847
NSC 78331
Cosmolit
Formaldehyde-sodium hydrogen sulfite
Langqielie C
Bruggolite E 01
Bruggolit E 01
Bruggolite SFS
Bruggolite C
Rongolite C
ST
ST (Rongalite)
SFS
Identifiers:
SMILES:
O=S(O)CO.[Na]
InChI:
InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);
Key Properties
Melting Point
63-64 °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 | 119.10 g/mol | CAS Common Chemistry |
| 119.09699999999998 g/mol | RDKit | |
| 118.97788426800001 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 23.610999999999997 | RDKit |
