![5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde structure](/static/products/7118/7118-79-8.webp)
5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde
TL;DR: 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde (CAS 7118-79-8) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylanilino)-1,3,4-thiadiazole-2-carbaldehyde
Also Known As: 5-[(4-methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde, 5-(4-methylanilino)-1,3,4-thiadiazole-2-carbaldehyde
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.40262 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 463.77466 |
Chemical Identifiers
| CAS Number | 7118-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NN=C(S2)C=O |
Product Overview
5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde (CAS 7118-79-8), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 5-(4-methylanilino)-1,3,4-thiadiazole-2-carbaldehyde.
Chemical Property Profile of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde
Property Insights of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde
The XLogP value of 2.40262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde. With a topological polar surface area (TPSA) of 54.88 Ų, 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde?
The CAS number of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde is 7118-79-8.
What is the molecular formula of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde?
The molecular formula of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde is C10H9N3OS.
What is the molecular weight of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde?
The molecular weight of 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde is 219.05 g/mol.
Where can I buy 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde?
You can request a quote for 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Methylphenyl)amino]-1,3,4-thiadiazole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.