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Molecule
Ammonium Thiosulfate
CAS: 7783-18-8 · H8N2O3S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7783-18-8
- Molecular Formula
- H8N2O3S2
- Molecular Mass
- 148.21 g/mol
Identifiers
CAS Registry Number
7783-18-8
SMILES
N.N.O=S(O)(O)=S
InChI Key
XYXNTHIYBIDHGM-UHFFFAOYSA-N
InChI
InChI=1S/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)
Names and Synonyms
- Ammonium Thiosulfate Common Name
- Thiosulfuric acid (H2S2O3), ammonium salt (1:2) Synonym
- Ammonium thiosulfate ((NH4)2S2O3) Synonym
- Thiosulfuric acid, diammonium salt Synonym
- Thiosulfuric acid (H2S2O3), diammonium salt Synonym
- Ammonium hyposulfite Synonym
- Diammonium thiosulfate Synonym
- Thio-Sul Synonym
- Ammonium thiosulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.21 g/mol | CAS Common Chemistry |
| 148.20899999999997 g/mol | RDKit | |
| 148.209 g/mol | RDKit | |
| 148.195 g/mol | chempirical lib | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.679 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_thiosulfate | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)S.N | CAS Common Chemistry |
| InChI | InChI=1S/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=XYXNTHIYBIDHGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150 °C (decomp) | CAS Common Chemistry |
| Name | Ammonium thiosulfate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.53 Ų | RDKit |
| LogP | 0.0026999999999995916 | RDKit |
| 0.0027 | RDKit | |
| Molar Refractivity | 30.80920000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 147.997634116 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 148.21 g/mol; density = 1.680 g/mL. Edit any field — others recompute live.
