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Molecule
Mercury(Ii) Thiocyanate
CAS: 592-85-8 · CHHgNS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 592-85-8
- Molecular Formula
- CHHgNS
- Molecular Mass
- 259.683 g/mol
Identifiers
CAS Registry Number
592-85-8
SMILES
N#CS.[Hg]
InChI Key
ABSGXKZYMUSMGH-UHFFFAOYSA-N
InChI
InChI=1S/CHNS.Hg/c2-1-3;/h3H;
Names and Synonyms
- Mercury(Ii) Thiocyanate Synonym
- Thiocyanic acid, mercury(2+) salt (2:1) Synonym
- Thiocyanic acid, mercury(2+) salt Synonym
- Mercuric sulfocyanate Synonym
- Mercuric sulfocyanide Synonym
- Mercuric thiocyanate Synonym
- Mercury thiocyanate (Hg(SCN)2) Synonym
- Mercury(II) thiocyanate Synonym
- Mercury di(thiocyanate) Synonym
- Mercuric isothiocyanate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 4.00 g/cm³ | CAS Common Chemistry |
| 4.0 g/cm3 (approx) | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mercury(II)_thiocyanate | CAS Common Chemistry |
| Canonical SMILES | [Hg].N#CS | CAS Common Chemistry |
| InChI | InChI=1S/CHNS.Hg/c2-1-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=ABSGXKZYMUSMGH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165 °C (decomp) | CAS Common Chemistry |
| Name | Mercuric thiocyanate | CAS Common Chemistry |
| Molecular Mass | 259.683 g/mol | RDKit |
| 260.953613032 g/mol | RDKit | |
| 260.686 g/mol | chempirical lib | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 0.3947800000000001 | RDKit |
| 0.3948 | RDKit | |
| Molar Refractivity | 14.599 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 259.68 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 259.68 g/mol; density = 4.000 g/mL. Edit any field — others recompute live.
