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Molecule
Dse
CAS: 142-59-6 · C4H8N2Na2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 142-59-6
- Molecular Formula
- C4H8N2Na2S4
- Molecular Mass
- 258.37 g/mol
Identifiers
CAS Registry Number
142-59-6
SMILES
SC(S)=NCCN=C(S)S.[Na].[Na]
InChI Key
ITKSGQOQMMSHEC-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;
Names and Synonyms
- Dse Common Name
- Carbamodithioic acid, N,N′-1,2-ethanediylbis-, sodium salt (1:2) Synonym
- Carbamic acid, ethylenebis[dithio-, disodium salt Synonym
- Carbamodithioic acid, 1,2-ethanediylbis-, disodium salt Synonym
- Chem Bam Synonym
- Disodium ethylenebis[dithiocarbamate] Synonym
- Dithane D 14 Synonym
- DSE Synonym
- Ethylenebis[dithiocarbamic acid] disodium salt Synonym
- Nabam Synonym
- Parzate Synonym
- Parzate Liquid Synonym
- Nafun IPO Synonym
- Dithane A 40 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.37 g/mol | CAS Common Chemistry |
| 260.358 g/mol | chempirical lib | |
| Canonical SMILES | [Na].S=C(S)NCCNC(=S)S | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);; | CAS Common Chemistry |
| InChI Key | InChIKey=ITKSGQOQMMSHEC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76-80 °C | CAS Common Chemistry |
| Name | DSE | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.72 Ų | RDKit |
| LogP | 0.6559999999999997 | RDKit |
| 0.656 | RDKit | |
| Molar Refractivity | 72.056 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 257.93657081599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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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MW = 258.37 g/mol. Edit any field — others recompute live.
