| SpectraBase Compound ID | LXkhbWS11ME |
|---|---|
| InChI | InChI=1S/C12H9NS2/c14-8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)15-12/h1-7,13-14H |
| InChIKey | IOAMEGIEDDLSFG-UHFFFAOYSA-N |
| Mol Weight | 231.33 g/mol |
| Molecular Formula | C12H9NS2 |
| Exact Mass | 231.017642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DSzxKglFPXn |
|---|---|
| Name | 2-Mercaptophenothiazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.017641642 u |
| Formula | C12H9NS2 |
| InChI | InChI=1S/C12H9NS2/c14-8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)15-12/h1-7,13-14H |
| InChIKey | IOAMEGIEDDLSFG-UHFFFAOYSA-N |
| Molecular Weight | 231.331 g/mol |
| SMILES | C1=CC=C2C(=C1)SC=1C(N2)=CC(=CC1)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914834 |