3-Methoxybenzaldehyde thiosemicarbazone
TL;DR: 3-Methoxybenzaldehyde thiosemicarbazone (CAS 1334180-01-6) is a chemical compound with molecular formula C9H11N3OS and molecular weight 209.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(3-methoxyphenyl)methylideneamino]thiourea
Also Known As: 3-Methoxybenzaldehyde thiosemicarbazone, [(3-methoxyphenyl)methylideneamino]thiourea, [(E)-(3-methoxyphenyl)methylideneamino]thiourea, 3-Methoxy-benzaldehyd-thiosemicarbazon, 2-(3-Methoxybenzylidene)Hydrazinecarbothioamide
Technical Specifications
| Molecular Formula | C9H11N3OS |
| Molecular Weight | 209.06229 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.06229 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | COC1=CC=CC(=C1)/C=N/NC(=S)N |
| InChIKey | FRKKQKDSWAUADS-IZZDOVSWSA-N |
Chemical Property Profile of 3-Methoxybenzaldehyde thiosemicarbazone
Property Insights of 3-Methoxybenzaldehyde thiosemicarbazone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybenzaldehyde thiosemicarbazone. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxybenzaldehyde thiosemicarbazone. Following Lipinski's Rule of Five, 3-Methoxybenzaldehyde thiosemicarbazone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methoxybenzaldehyde thiosemicarbazone?
The CAS number of 3-Methoxybenzaldehyde thiosemicarbazone is 1334180-01-6.
What is the molecular formula of 3-Methoxybenzaldehyde thiosemicarbazone?
The molecular formula of 3-Methoxybenzaldehyde thiosemicarbazone is C9H11N3OS.
What is the molecular weight of 3-Methoxybenzaldehyde thiosemicarbazone?
The molecular weight of 3-Methoxybenzaldehyde thiosemicarbazone is 209.06229 g/mol.
Where can I buy 3-Methoxybenzaldehyde thiosemicarbazone?
You can request a quote for 3-Methoxybenzaldehyde thiosemicarbazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxybenzaldehyde thiosemicarbazone?
Yes, CoreyChem provides custom synthesis services for 3-Methoxybenzaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.