Back to Search
Molecule
Sodium Diethyldithiocarbamate
CAS: 148-18-5 · C5H11NNaS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 148-18-5
- Molecular Formula
- C5H11NNaS2
- Molecular Mass
- 172.27 g/mol
Identifiers
CAS Registry Number
148-18-5
SMILES
CCN(CC)C(=S)S.[Na]
InChI Key
PFNYKXQYOYYJAU-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
Names and Synonyms
- Sodium Diethyldithiocarbamate Synonym
- Carbamodithioic acid, N,N-diethyl-, sodium salt (1:1) Synonym
- Carbamic acid, diethyldithio-, sodium salt Synonym
- Carbamodithioic acid, diethyl-, sodium salt Synonym
- Sodium DEDT Synonym
- Sodium N,N-diethyldithiocarbamate Synonym
- Sodium diethyldithiocarbamate Synonym
- DEDC Synonym
- Dithiocarb Synonym
- Diethyldithiocarbamic acid sodium salt Synonym
- N,N-Diethyldithiocarbamic acid, sodium salt Synonym
- Sodium diethylaminocarbodithioate Synonym
- Thiocarb Synonym
- Cupral Synonym
- Imuthiol Synonym
- Soxinol ESL Synonym
- Kupral Synonym
- Ditiocarb sodium Synonym
- Sodium diethylaminocarbodithiolate Synonym
- Na-DDTC Synonym
- Nocceler SDC Synonym
- DDTC Synonym
- DDC Synonym
- DeDTC Synonym
- DTC Synonym
- Dithiocarb sodium Synonym
- SDDTC Synonym
- Aquamet E Synonym
- Diethyl dithiocarbamate sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.27 g/mol | CAS Common Chemistry |
| 172.27400000000003 g/mol | RDKit | |
| 172.274 g/mol | RDKit | |
| 173.268 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_diethyldithiocarbamate | CAS Common Chemistry |
| Canonical SMILES | [Na].S=C(S)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8); | CAS Common Chemistry |
| InChI Key | InChIKey=PFNYKXQYOYYJAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94-96 °C | CAS Common Chemistry |
| Name | Sodium diethyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.1621 | RDKit |
| Molar Refractivity | 50.25900000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 172.02306063199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 172.27 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
