| SpectraBase Compound ID | BLnMkIbZhYD |
|---|---|
| InChI | InChI=1S/C12H16N4S/c1-13-9-5-8-11-15-16-12(17-11)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3,(H,14,16) |
| InChIKey | ADCYLVOHSCGCMN-UHFFFAOYSA-N |
| Mol Weight | 248.35 g/mol |
| Molecular Formula | C12H16N4S |
| Exact Mass | 248.109568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LcI4bHhPDs8 |
|---|---|
| Name | 2-(3-Methylaminopropyl)-5-phenylamino-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.109567705 u |
| Formula | C12H16N4S |
| InChI | InChI=1S/C12H16N4S/c1-13-9-5-8-11-15-16-12(17-11)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3,(H,14,16) |
| InChIKey | ADCYLVOHSCGCMN-UHFFFAOYSA-N |
| Molecular Weight | 248.348 g/mol |
| SMILES | C=1(NC2=CC=CC=C2)SC(=NN1)CCCNC |