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Potassium Dimethyldithiocarbamate
CAS: 128-03-0 | C3H7KNS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
128-03-0
Molecular Formula:
C3H7KNS2
Molecular Mass:
160.33 g/mol
Names and Synonyms:
Potassium Dimethyldithiocarbamate
Carbamodithioic acid, N,N-dimethyl-, potassium salt (1:1)
Carbamic acid, dimethyldithio-, potassium salt
Carbamodithioic acid, dimethyl-, potassium salt
Potassium dimethyldithiocarbamate
Potassium N,N-dimethyldithiocarbamate
Busan 85
Arylane
MBC 350
Identifiers:
SMILES:
CN(C)C(=S)S.[K]
InChI:
InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
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 | 160.33 g/mol | CAS Common Chemistry |
| 160.328 g/mol | RDKit | |
| 159.965697904 g/mol | RDKit | |
| Canonical SMILES | [K].S=C(S)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=CCPXJWCBSIZVGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium dimethyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 0.38189999999999996 | RDKit |
| Molar Refractivity | 41.02500000000002 | RDKit |
