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Molecule
Sodium Thiocyanate
CAS: 540-72-7 · CHNNaS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 540-72-7
- Molecular Formula
- CHNNaS
- Molecular Mass
- 82.08 g/mol
Identifiers
CAS Registry Number
540-72-7
SMILES
N#CS.[Na]
InChI Key
UCPNVURWWCDTEA-UHFFFAOYSA-N
InChI
InChI=1S/CHNS.Na/c2-1-3;/h3H;
Names and Synonyms
- Sodium Thiocyanate Common Name
- Thiocyanic acid, sodium salt (1:1) Synonym
- Thiocyanic acid, sodium salt Synonym
- Sodium isothiocyanate Synonym
- Haimased Synonym
- Sodium rhodanide Synonym
- Sodium sulfocyanate Synonym
- Sodium sulfocyanide Synonym
- Sodium thiocyanate Synonym
- Sodium thiocyanide Synonym
- Sodium rhodanate Synonym
- Scyan Synonym
- Thiocyanic acid, sodium salt, ion(1-) (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.08 g/mol | CAS Common Chemistry |
| 82.083 g/mol | RDKit | |
| 83.084 g/mol | chempirical lib | |
| Density | 1.70 g/cm³ | CAS Common Chemistry |
| 1.7 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_thiocyanate | CAS Common Chemistry |
| Canonical SMILES | [Na].N#CS | CAS Common Chemistry |
| InChI | InChI=1S/CHNS.Na/c2-1-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=UCPNVURWWCDTEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300 °C | CAS Common Chemistry |
| Name | Sodium thiocyanate | CAS Common Chemistry |
| 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 | 0.016479999999999995 | RDKit |
| 0.0165 | RDKit | |
| Molar Refractivity | 20.352999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 81.972739312 g/mol | RDKit |
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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Quick conversion
MW = 82.08 g/mol; density = 1.700 g/mL. Edit any field — others recompute live.
