| SpectraBase Spectrum ID |
KEda9ITIHhM |
| Name |
Carbothioamide, 1-hydrazine-2-[1-(2,6-dichlorophenyl) methylidene] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.973773811 u |
| Formula |
C8H7Cl2N3S |
| InChI |
InChI=1S/C8H7Cl2N3S/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+ |
| InChIKey |
JWTQZQFPOKSWPZ-UUILKARUSA-N |
| Molecular Weight |
248.131 g/mol |
| SMILES |
C1=C(Cl)C(\C=N\NC(=S)N)=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924404 |