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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 Weight:
119.09699999999998 g/mol
Names and Synonyms:
Rongalite
SFS
ST (Rongalite)
ST
Rongolite C
Bruggolite C
Bruggolite SFS
Bruggolit E 01
Bruggolite E 01
Langqielie C
Formaldehyde-sodium hydrogen sulfite
Cosmolit
NSC 78331
NSC 4847
Superlite C
Bleachit D
Leptacit
Rodite
Redol C
C.I. Reducing Agent 2
Leptacid
Formapon
Aldanil
Sodium methanalsulfoxylate
Formaldehydesulfoxylic acid sodium salt
Sodium (hydroxymethyl)sulfinate
Sodium sulfoxylate formaldehyde
Sodium hydroxymethanesulfinate
Rongalite C
Rongalite
Rongalit C
Rongalit
Hydroxymethanesulfinic acid sodium salt
Hydrolit
Formopan
Formaldehyde sodium sulfoxylate
Methanesulfinic acid, hydroxy-, monosodium salt
Sodium formaldehydesulfoxylate
Methanesulfinic acid, 1-hydroxy-, sodium salt (1:1)
Identifiers:
SMILES:
O=S(O)CO.[Na]
InChI:
InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.09699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.97788426800001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2228999999999999 | RDKit |
| molecular_mass | 119.10 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Rongalite None | Legacy Database |
| cas-canonical-smile | [Na].O=S(O)CO None | Legacy Database |
| cas-inchi | InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=SAJLIOLJORWJIO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 63-64 °C None | Legacy Database |
| cas-name | Rongalite None | Legacy Database |
| wikipedia-name | Rongalite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.610999999999997 | RDKit |
