Back to Search
Thiourea Dioxide
CAS: 1758-73-2 | CH4N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1758-73-2
Molecular Formula:
CH4N2O2S
Molecular Weight:
108.12199999999999 g/mol
Names and Synonyms:
Thiourea Dioxide
Methanesulfinic acid, 1-amino-1-imino-
Methanesulfinic acid, aminoimino-
1-Amino-1-iminomethanesulfinic acid
NSC 34540
Formamidinesulfinic acid
Manofast
Aminoiminomethanesulfinic acid
Thiourea dioxide
Lorinol R
Degussa F
Tec Light
Formamidine sulfinate
NT-F 100
NSC 226979
Rucorit RGH
Thiourea peroxide
FAS
Reduktana
Polyclear
Operegal O
FAS (bleaching agent)
Identifiers:
SMILES:
N=C(N)S(=O)O
InChI:
InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)
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 | 108.12199999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 107.999348368 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 | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 87.17 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8984299999999998 | RDKit |
| molecular_mass | 108.12 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Thiourea_dioxide None | Legacy Database |
| cas-canonical-smile | O=S(O)C(=N)N None | Legacy Database |
| cas-inchi | InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=FYOWZTWVYZOZSI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 130 °C None | Legacy Database |
| cas-name | Thiourea dioxide None | Legacy Database |
| wikipedia-name | Thiourea dioxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.6853 | RDKit |
