2-[(3-Methoxybenzyl)sulfanyl]-1,3-benzoxazole
CAS: 604795-48-4
| 1 | 2-[(3-methoxybenzyl)sulfanyl]-1,3-benzoxazole |
| 2 | Benzoxazole, 2-[[(3-methoxyphenyl)methyl]thio]- (9CI) |
| 3 | 2-((3-methoxybenzyl)thio)benzo[d]oxazole |
| 4 | 2-[(3-methoxyphenyl)methylsulfanyl]-1,3-benzoxazole |
| 5 | CHEMBL485448 |
No description available for this item
| Molecular Formula | C15H13NO2S |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 271.3000 |
| InChIKey | MLJQPYSUOJIVOX-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H13NO2S/c1-17-12-6-4-5-11(9-12)10-19-15-16-13-7-2-3-8-14(13)18-15/h2-9H,10H2,1H3 |
| XLogP | 4.1000 |
| ExactMass | 271.0667 |
| MonoisotopicMass | 271.0667 |
| TPSA | 60.6000 |
| Complexity | 289.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |