TL;DR: 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone (CAS 139698-78-5) is a chemical compound with molecular formula C17H15N3O2S2 and molecular weight 357.06058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
Also Known As: 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide, (E)-2-(benzo[d]thiazol-2-ylthio)-N'-(2-methoxybenzylidene)acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(2-methoxybenzylidene)acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(2-methoxyphenyl)methylidene]acetohydrazide
| Molecular Formula | C17H15N3O2S2 |
| Molecular Weight | 357.06058 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.06058 Da |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
| SMILES | COC1=CC=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | DZQJZGHWWGJNLW-VCHYOVAHSA-N |
The XLogP value of 4.2 indicates that 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone. Following Lipinski's Rule of Five, 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone is 139698-78-5.
The molecular formula of 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone is C17H15N3O2S2.
The molecular weight of 2-Methoxybenzaldehyde [(benzothiazol-2-ylthio)acetyl]hydrazone is 357.06058 g/mol.
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