3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium perchlorate
CAS: 2459632-56-3
| 1 | MFCD34705237 |
| 2 | SY464889 |
| 3 | 3-Neopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium Perchlorate |
No description available for this item
| Molecular Formula | C13H22ClNO4S |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 323.8400 |
| InChIKey | PDYHSXUSUCXNGR-UHFFFAOYSA-M |
| InChI | InChI=1S/C13H22NS.ClHO4/c1-13(2,3)9-14-10-15-12-8-6-4-5-7-11(12)14;2-1(3,4)5/h10H,4-9H2,1-3H3;(H,2,3,4,5)/q+1;/p-1 |
| XLogP | 0.0000 |
| ExactMass | 323.0958 |
| MonoisotopicMass | 323.0958 |
| TPSA | 106.0000 |
| Complexity | 305.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |