![3-methyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one](/api/spectrum/9IPbWZbs8UM/structure.png?h=300&w=458 "3-methyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one")
| SpectraBase Compound ID | 3m8waRKt54X |
|---|---|
| InChI | InChI=1S/C11H12N2OS2/c1-13-10(14)8-6-4-2-3-5-7(6)16-9(8)12-11(13)15/h2-5H2,1H3,(H,12,15) |
| InChIKey | PFSZMGIUBHSQKS-UHFFFAOYSA-N |
| Mol Weight | 252.35 g/mol |
| Molecular Formula | C11H12N2OS2 |
| Exact Mass | 252.039105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IPbWZbs8UM |
|---|---|
| Name | 3-Methyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-4(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.039105361 u |
| Formula | C11H12N2OS2 |
| InChI | InChI=1S/C11H12N2OS2/c1-13-10(14)8-6-4-2-3-5-7(6)16-9(8)12-11(13)15/h2-5H2,1H3,(H,12,15) |
| InChIKey | PFSZMGIUBHSQKS-UHFFFAOYSA-N |
| Molecular Weight | 252.350 g/mol |
| SMILES | C1=2SC3=C(C2C(=O)N(C(N1)=S)C)CCCC3 |