| SpectraBase Compound ID | Ay5m6Rthj3I |
|---|---|
| InChI | InChI=1S/C8H7NS2/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,1H3 |
| InChIKey | MQQXIAYSIKXKSL-UHFFFAOYSA-N |
| Mol Weight | 181.27 g/mol |
| Molecular Formula | C8H7NS2 |
| Exact Mass | 181.001992 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6PmeCiq24v0 |
|---|---|
| Name | 4-(Methylsulfanyl)-1-(thiocyanatobenzene |
| Alternate Name(s) | (4-methylsulfanylphenyl) thiocyanate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NS2 |
| InChI | InChI=1S/C8H7NS2/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,1H3 |
| InChIKey | MQQXIAYSIKXKSL-UHFFFAOYSA-N |
| Molecular Weight | 181.271 g/mol |
| SMILES | C(#N)Sc1ccc(cc1)SC |
| SPLASH | splash10-067i-1900000000-cdead3d786c248c875b6 |
| Source of Spectrum | SK-25-1283-2 |
| Wiley ID | 866658 |