Back to Search
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
Names and Synonyms:
Sodium Diethyldithiocarbamate
Carbamodithioic acid, N,N-diethyl-, sodium salt (1:1)
Carbamic acid, diethyldithio-, sodium salt
Carbamodithioic acid, diethyl-, sodium salt
Sodium DEDT
Sodium N,N-diethyldithiocarbamate
Sodium diethyldithiocarbamate
DEDC
Dithiocarb
Diethyldithiocarbamic acid sodium salt
N,N-Diethyldithiocarbamic acid, sodium salt
Sodium diethylaminocarbodithioate
Thiocarb
Cupral
Imuthiol
Soxinol ESL
Kupral
Ditiocarb sodium
Sodium diethylaminocarbodithiolate
Na-DDTC
Nocceler SDC
DDTC
DDC
DeDTC
DTC
Dithiocarb sodium
SDDTC
Aquamet E
Diethyl dithiocarbamate sodium salt
Identifiers:
SMILES:
CCN(CC)C(=S)S.[Na]
InChI:
InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
Key Properties
Melting Point
94-96 °C
CAS Common Chemistry
Density
1.10 g/cm³
CAS Common Chemistry
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 | 172.27 g/mol | CAS Common Chemistry |
| 172.27400000000003 g/mol | RDKit | |
| 172.02306063199998 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1 g/cm3 @ Temp: 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 | RDKit |
