TL;DR: PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE) (CAS 102259-60-9) is a chemical compound with molecular formula C22H24N8O4S2 and molecular weight 528.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-ylmethylideneamino)-3-[4-[(1,3-benzodioxol-5-ylmethylideneamino)carbamothioylamino]piperazin-1-yl]thiourea
Also Known As: PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE), 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-[4-[(1,3-benzodioxol-5-ylmethylideneamino)carbamothioylamino]piperazin-1-yl]thiourea
| Molecular Formula | C22H24N8O4S2 |
| Molecular Weight | 528.13617 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.13617 Da |
| Heavy Atoms | 36 |
| Complexity | 762.0 |
| SMILES | C1CN(CCN1NC(=S)NN=CC2=CC3=C(C=C2)OCO3)NC(=S)NN=CC4=CC5=C(C=C4)OCO5 |
| InChIKey | WXDKHFURGTVWSL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE). The TPSA of 180.0 Ų indicates high polarity, suggesting PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE) is 102259-60-9.
The molecular formula of PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE) is C22H24N8O4S2.
The molecular weight of PIPERONAL 4,4'-(1,4-PIPERAZINEDIYL)BIS(3-THIOSEMICARBAZONE) is 528.13617 g/mol.
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