| SpectraBase Compound ID | 1g3IzOGwROc |
|---|---|
| InChI | InChI=1S/C6H6N2S2/c1-4-5(3-7)6(9-2)8-10-4/h1-2H3 |
| InChIKey | BXRQKXBJUUQKRM-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C6H6N2S2 |
| Exact Mass | 169.997241 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 79908Cyg0bB |
|---|---|
| Name | 5-METHYL-3-(METHYLTHIO)-4-ISOTHIAZOLECARBONITRILE |
| Source of Sample | Bionet Research Ltd., Cornwall, England |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6N2S2 |
| InChI | InChI=1S/C6H6N2S2/c1-4-5(3-7)6(9-2)8-10-4/h1-2H3 |
| InChIKey | BXRQKXBJUUQKRM-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | 50-52C |
| Molecular Weight | 170.26 |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |