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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
Names and Synonyms:
Sodium Thiocyanate
Thiocyanic acid, sodium salt (1:1)
Thiocyanic acid, sodium salt
Sodium isothiocyanate
Haimased
Sodium rhodanide
Sodium sulfocyanate
Sodium sulfocyanide
Sodium thiocyanate
Sodium thiocyanide
Sodium rhodanate
Scyan
Thiocyanic acid, sodium salt, ion(1-) (1:1)
Identifiers:
SMILES:
N#CS.[Na]
InChI:
InChI=1S/CHNS.Na/c2-1-3;/h3H;
Key Properties
Melting Point
300 °C
CAS Common Chemistry
Density
1.70 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.08 g/mol | CAS Common Chemistry |
| 82.083 g/mol | RDKit | |
| 81.972739312 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 20.352999999999998 | RDKit |
