4-Methylbenzaldehyde thiosemicarbazone
TL;DR: 4-Methylbenzaldehyde thiosemicarbazone (CAS 1321617-35-9) is a chemical compound with molecular formula C9H11N3S and molecular weight 193.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(4-methylphenyl)methylideneamino]thiourea
Also Known As: 4-methylbenzaldehyde thiosemicarbazone, 4-methylbenzylidenehydrazinecarbothioamide, [(4-methylphenyl)methylideneamino]thiourea, {[(4-methylphenyl)methylidene]amino}thiourea, (E)-1-(4-Methylbenzylidene)thiosemicarbazide
Technical Specifications
| Molecular Formula | C9H11N3S |
| Molecular Weight | 193.06737 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.06737 Da |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
| SMILES | CC1=CC=C(C=C1)/C=N/NC(=S)N |
| InChIKey | IUQXMWKEVKAVQT-IZZDOVSWSA-N |
Chemical Property Profile of 4-Methylbenzaldehyde thiosemicarbazone
Property Insights of 4-Methylbenzaldehyde thiosemicarbazone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzaldehyde thiosemicarbazone. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylbenzaldehyde thiosemicarbazone. Following Lipinski's Rule of Five, 4-Methylbenzaldehyde thiosemicarbazone has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylbenzaldehyde thiosemicarbazone?
The CAS number of 4-Methylbenzaldehyde thiosemicarbazone is 1321617-35-9.
What is the molecular formula of 4-Methylbenzaldehyde thiosemicarbazone?
The molecular formula of 4-Methylbenzaldehyde thiosemicarbazone is C9H11N3S.
What is the molecular weight of 4-Methylbenzaldehyde thiosemicarbazone?
The molecular weight of 4-Methylbenzaldehyde thiosemicarbazone is 193.06737 g/mol.
Where can I buy 4-Methylbenzaldehyde thiosemicarbazone?
You can request a quote for 4-Methylbenzaldehyde thiosemicarbazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylbenzaldehyde thiosemicarbazone?
Yes, CoreyChem provides custom synthesis services for 4-Methylbenzaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.