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Molecule
Thiourea Dioxide
CAS: 1758-73-2 · CH4N2O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1758-73-2
- Molecular Formula
- CH4N2O2S
- Molecular Mass
- 108.12 g/mol
Identifiers
CAS Registry Number
1758-73-2
SMILES
N=C(N)S(=O)O
InChI Key
FYOWZTWVYZOZSI-UHFFFAOYSA-N
InChI
InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)
Names and Synonyms
- Thiourea Dioxide Synonym
- Methanesulfinic acid, 1-amino-1-imino- Synonym
- Methanesulfinic acid, aminoimino- Synonym
- 1-Amino-1-iminomethanesulfinic acid Synonym
- NSC 34540 Synonym
- Formamidinesulfinic acid Synonym
- Manofast Synonym
- Aminoiminomethanesulfinic acid Synonym
- Thiourea dioxide Synonym
- Lorinol R Synonym
- Degussa F Synonym
- Tec Light Synonym
- Formamidine sulfinate Synonym
- NT-F 100 Synonym
- NSC 226979 Synonym
- Rucorit RGH Synonym
- Thiourea peroxide Synonym
- FAS Synonym
- Reduktana Synonym
- Polyclear Synonym
- Operegal O Synonym
- FAS (bleaching agent) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.12 g/mol | CAS Common Chemistry |
| 108.12199999999999 g/mol | RDKit | |
| 108.122 g/mol | RDKit | |
| 108.115 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thiourea_dioxide | CAS Common Chemistry |
| Canonical SMILES | O=S(O)C(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=FYOWZTWVYZOZSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | Thiourea dioxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.17 Ų | RDKit |
| LogP | -0.8984299999999998 | RDKit |
| -0.8984 | RDKit | |
| Molar Refractivity | 22.6853 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 107.999348368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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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 = 108.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH4N2O2S.
