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Molecule
Potassium Dimethyldithiocarbamate
CAS: 128-03-0 · C3H7KNS2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 128-03-0
- Molecular Formula
- C3H7KNS2
- Molecular Mass
- 160.33 g/mol
Identifiers
CAS Registry Number
128-03-0
SMILES
CN(C)C(=S)S.[K]
InChI Key
CCPXJWCBSIZVGZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);
Names and Synonyms
- Potassium Dimethyldithiocarbamate Synonym
- Carbamodithioic acid, N,N-dimethyl-, potassium salt (1:1) Synonym
- Carbamic acid, dimethyldithio-, potassium salt Synonym
- Carbamodithioic acid, dimethyl-, potassium salt Synonym
- Potassium dimethyldithiocarbamate Synonym
- Potassium N,N-dimethyldithiocarbamate Synonym
- Busan 85 Synonym
- Arylane Synonym
- MBC 350 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_dimethyldithiocarbamate | CAS Common Chemistry |
| Molecular Mass | 160.33 g/mol | CAS Common Chemistry |
| 160.328 g/mol | RDKit | |
| 161.322 g/mol | chempirical lib | |
| 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 |
| 0.3819 | RDKit | |
| Molar Refractivity | 41.02500000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 159.965697904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 160.33 g/mol. Edit any field — others recompute live.
