SpectraBase Compound ID | 95dDMrdU4ly |
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InChI | InChI=1S/C8H8BrN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+ |
InChIKey | IWCKHKPTELYTJL-VZUCSPMQSA-N |
Mol Weight | 258.14 g/mol |
Molecular Formula | C8H8BrN3S |
Exact Mass | 256.962231 g/mol |
SpectraBase Spectrum ID | 1R3chJdA54x |
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Name | Hydrazinecarbothioamide, 2-[(2-bromophenyl)methylene]- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 256.962231444 u |
Formula | C8H8BrN3S |
InChI | InChI=1S/C8H8BrN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+ |
InChIKey | IWCKHKPTELYTJL-VZUCSPMQSA-N |
SMILES | C1=C(\C=N\NC(N)=S)C(Br)=CC=C1 |