![2-[(2-Mercaptophenyl)thio]benzenethiol](/api/spectrum/GJA6vFjmjBi/structure.png?h=300&w=458 "2-[(2-Mercaptophenyl)thio]benzenethiol")
| SpectraBase Compound ID | LAcfsrUSoxH |
|---|---|
| InChI | InChI=1S/C12H10S3/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,13-14H |
| InChIKey | CNLFWWJPDJEDGW-UHFFFAOYSA-N |
| Mol Weight | 250.39 g/mol |
| Molecular Formula | C12H10S3 |
| Exact Mass | 249.994464 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GJA6vFjmjBi |
|---|---|
| Name | 2-[(2-Mercaptophenyl)thio]benzenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.994463844 u |
| Formula | C12H10S3 |
| InChI | InChI=1S/C12H10S3/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,13-14H |
| InChIKey | CNLFWWJPDJEDGW-UHFFFAOYSA-N |
| Molecular Weight | 250.392 g/mol |
| SMILES | C=1(SC=2C(S)=CC=CC2)C(S)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923892 |