C14H14ClN3O4S2
2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate
Also Known As: 2-(benzylthio)-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate|2-(benzylthio)-5,7-dimethyl[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate|2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate|2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium;perchlorate
CAS: 39119-65-8
| Molecular Formula | C14H14ClN3O4S2 |
|---|---|
| Molecular Weight | 387.0114 g/mol |
| LogP | -1.57006 |
| Topological Polar Surface Area | 122.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.0114 |
| Monoisotopic Mass | 387.0114 |
| Heavy Atoms | 24 |
| Complexity | 802.87994 |
Chemical Identifiers
| CAS Number | 39119-65-8 |
|---|---|
| SMILES | CC1=CC(=[N+]2C(=N1)SC(=N2)SCC3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O |
Product Overview
C14H14ClN3O4S2 (CAS 39119-65-8), with molecular formula C14H14ClN3O4S2 and molecular weight 387.0114 g/mol. IUPAC: 2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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