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Molecule
Sodium Isopropyl Xanthate
CAS: 140-93-2 · C4H8NaOS2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 140-93-2
- Molecular Formula
- C4H8NaOS2
- Molecular Mass
- 159.23 g/mol
Identifiers
CAS Registry Number
140-93-2
SMILES
CC(C)OC(=S)S.[Na]
InChI Key
KBKAUGFMRGQXTO-UHFFFAOYSA-N
InChI
InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);
Names and Synonyms
- Sodium Isopropyl Xanthate Common Name
- Carbonodithioic acid, O-(1-methylethyl) ester, sodium salt (1:1) Synonym
- Carbonic acid, dithio-, O-isopropyl ester, sodium salt Synonym
- Carbonodithioic acid, O-(1-methylethyl) ester, sodium salt Synonym
- Good-rite Nix Synonym
- Isopropylxanthic acid sodium salt Synonym
- Proxan-sodium Synonym
- NIX Synonym
- Sodium isopropylxanthogenate Synonym
- Sodium isopropyl xanthate Synonym
- Aeroxanthate 343 Synonym
- Z 11 Synonym
- Sodium O-isopropyl dithiocarbonate Synonym
- Sodium O-isopropyl xanthate Synonym
- O-Isopropyl sodium dithiocarbonate Synonym
- O-Isopropyl sodium xanthate Synonym
- Z 11 (xanthate) Synonym
- Accelerator SIP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.23 g/mol | CAS Common Chemistry |
| 159.23100000000002 g/mol | RDKit | |
| 159.231 g/mol | RDKit | |
| 160.225 g/mol | chempirical lib | |
| 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 |
| 1.2453 | RDKit | |
| Molar Refractivity | 43.55900000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 158.991426156 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 159.23 g/mol. Edit any field — others recompute live.
