| SpectraBase Compound ID | 1emCqTp1srw |
|---|---|
| InChI | InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3 |
| InChIKey | CEBAJHCAFXYWNT-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 | 30Hgl7bATnu |
|---|---|
| Name | (4-isothiocyano)(methyl)sulfane |
| Appearance | Pale yellow oily liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NS2 |
| InChI | InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3 |
| InChIKey | CEBAJHCAFXYWNT-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 181.271 g/mol |
| SMILES | c1c(ccc(c1)SC)N=C=S |
| SPLASH | splash10-00lr-0900000000-646943dd2a7ba045c16e |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872696 |