| SpectraBase Compound ID | 8kyFcMT0bmV |
|---|---|
| InChI | InChI=1S/C10H9N3O2S2/c11-9-12-13-10(17-9)16-5-6-1-3-7(4-2-6)8(14)15/h1-4H,5H2,(H2,11,12)(H,14,15) |
| InChIKey | QJKNFSPAYVEYDX-UHFFFAOYSA-N |
| Mol Weight | 267.32 g/mol |
| Molecular Formula | C10H9N3O2S2 |
| Exact Mass | 267.013619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bms3lZKUPlC |
|---|---|
| Name | Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-ylthiomethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.013618888 u |
| Formula | C10H9N3O2S2 |
| InChI | InChI=1S/C10H9N3O2S2/c11-9-12-13-10(17-9)16-5-6-1-3-7(4-2-6)8(14)15/h1-4H,5H2,(H2,11,12)(H,14,15) |
| InChIKey | QJKNFSPAYVEYDX-UHFFFAOYSA-N |
| Molecular Weight | 267.321 g/mol |
| SMILES | C1=CC(C(=O)O)=CC=C1CSC=1SC(N)=NN1 |