Methyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate
CAS: 315239-25-9
| 1 | methyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate |
| 2 | methyl 4-((benzo[d]thiazol-2-ylthio)methyl)benzoate |
| 3 | CBMicro_002127 |
| 4 | methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate |
| 5 | SMSF0015764 |
No description available for this item
| Molecular Formula | C16H13NO2S2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 315.4000 |
| InChIKey | KOZOGTICWSMJFV-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H13NO2S2/c1-19-15(18)12-8-6-11(7-9-12)10-20-16-17-13-4-2-3-5-14(13)21-16/h2-9H,10H2,1H3 |
| XLogP | 4.4000 |
| ExactMass | 315.0388 |
| MonoisotopicMass | 315.0388 |
| TPSA | 92.7000 |
| Complexity | 358.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 21 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |