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Sodium Trithiocarbonate
CAS: 534-18-9 | CH2Na2S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
534-18-9
Molecular Formula:
CH2Na2S3
Molecular Mass:
156.21 g/mol
Names and Synonyms:
Sodium Trithiocarbonate
Carbonotrithioic acid, sodium salt (1:2)
Carbonic acid, trithio-, disodium salt
Carbonotrithioic acid, disodium salt
Sodium thiocarbonate
Sodium trithiocarbonate
Disodium trithiocarbonate (Na2CS3)
Disodium thiocarbonate
Sodium thiocarbonate (Na2CS3)
Disodium trithiocarbonate
Disodium carbonotrithioate
Identifiers:
SMILES:
S=C(S)S.[Na].[Na]
InChI:
InChI=1S/CH2S3.2Na/c2-1(3)4;;/h(H2,2,3,4);;
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 | 156.21 g/mol | CAS Common Chemistry |
| 156.208 g/mol | RDKit | |
| 155.91140162399998 g/mol | RDKit | |
| Canonical SMILES | [Na].S=C(S)S | CAS Common Chemistry |
| InChI | InChI=1S/CH2S3.2Na/c2-1(3)4;;/h(H2,2,3,4);; | CAS Common Chemistry |
| InChI Key | InChIKey=WYSSHYARPQGWKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium trithiocarbonate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.3693 | RDKit |
| Molar Refractivity | 42.078 | RDKit |
