Back to Search
2,5-Dimercapto-1,3,4-Thiadiazole Dipotassium Salt
CAS: 4628-94-8 | C2H2K2N2S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4628-94-8
Molecular Formula:
C2H2K2N2S3
Molecular Mass:
228.45 g/mol
Names and Synonyms:
2,5-Dimercapto-1,3,4-Thiadiazole Dipotassium Salt
1,3,4-Thiadiazolidine-2,5-dithione, potassium salt (1:2)
1,3,4-Thiadiazole-2,5-dithiol, dipotassium salt
1,3,4-Thiadiazolidine-2,5-dithione, dipotassium salt
1,3,4-Thiadiazole-2,5-di(potassiomercaptide)
2,5-Dimercapto-1,3,4-thiadiazole dipotassium salt
Dipotassium 1,3,4-thiadiazole-2,5-dithiolate
K bismuthiol
Dipotassium (5-sulfanidyl-1,3,4-thiadiazol-2-yl)sulfanide
Identifiers:
SMILES:
Sc1nnc(S)s1.[K].[K]
InChI:
InChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;
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 | 228.45 g/mol | CAS Common Chemistry |
| 228.449 g/mol | RDKit | |
| 227.865424424 g/mol | RDKit | |
| Canonical SMILES | [K].S=C1SC(=S)NN1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);; | CAS Common Chemistry |
| InChI Key | InChIKey=APBOZDGTRCWHKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5-Dimercapto-1,3,4-thiadiazole dipotassium salt | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| LogP | 0.35389999999999994 | RDKit |
| Molar Refractivity | 45.92100000000001 | RDKit |
