| SpectraBase Compound ID | FApinrKq06K |
|---|---|
| InChI | InChI=1S/C7H7N3O2S/c8-6-2-1-4(10(11)12)3-5(6)7(9)13/h1-3H,8H2,(H2,9,13) |
| InChIKey | FHYFXVGYNCGBAT-UHFFFAOYSA-N |
| Mol Weight | 197.21 g/mol |
| Molecular Formula | C7H7N3O2S |
| Exact Mass | 197.025898 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ApJx4JwMgTl |
|---|---|
| Name | 2-Amino-5-nitrobenzothioamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.025897649 u |
| Formula | C7H7N3O2S |
| InChI | InChI=1S/C7H7N3O2S/c8-6-2-1-4(10(11)12)3-5(6)7(9)13/h1-3H,8H2,(H2,9,13) |
| InChIKey | FHYFXVGYNCGBAT-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(C(N)=S)=C1N)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94594 |