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Sodium Isopropyl Xanthate
CAS: 140-93-2 | C4H8NaOS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-93-2
Molecular Formula:
C4H8NaOS2
Molecular Mass:
159.23 g/mol
Names and Synonyms:
Sodium Isopropyl Xanthate
Carbonodithioic acid, O-(1-methylethyl) ester, sodium salt (1:1)
Carbonic acid, dithio-, O-isopropyl ester, sodium salt
Carbonodithioic acid, O-(1-methylethyl) ester, sodium salt
Good-rite Nix
Isopropylxanthic acid sodium salt
Proxan-sodium
NIX
Sodium isopropylxanthogenate
Sodium isopropyl xanthate
Aeroxanthate 343
Z 11
Sodium O-isopropyl dithiocarbonate
Sodium O-isopropyl xanthate
O-Isopropyl sodium dithiocarbonate
O-Isopropyl sodium xanthate
Z 11 (xanthate)
Accelerator SIP
Identifiers:
SMILES:
CC(C)OC(=S)S.[Na]
InChI:
InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);
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 | 159.23 g/mol | CAS Common Chemistry |
| 159.23100000000002 g/mol | RDKit | |
| 158.991426156 g/mol | RDKit | |
| Canonical SMILES | [Na].S=C(S)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=KBKAUGFMRGQXTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium isopropyl xanthate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.2452999999999999 | RDKit |
| Molar Refractivity | 43.55900000000002 | RDKit |
