1. Primary Information
| English name: | Methylene dithiocyanate |
| CAS No.: | 6317-18-6 |
| Molecular formula: | C3H2N2S2 |
| Molecular weight: | 130.20 g/mol |
| SMILES: | C(SC#N)SC#N |
| Structural class: | |
| Other identifiers: |
methylene bis(thiocyanate) methylene dithiocyanate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 99% | 936 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
thiocyanatomethyl thiocyanate
4.2 InChI
InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2
4.3 InChIKey
JWZXKXIUSSIAMR-UHFFFAOYSA-N
4.4 Canonical SMILES
C(SC#N)SC#N
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
