![5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine structure](/static/products/1100/110076-52-3.webp)
5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
TL;DR: 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine (CAS 110076-52-3) is a chemical compound with molecular formula C12H15N3O3S2 and molecular weight 313.05548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Also Known As: J1.524.519K, 5-[(3,4,5-Trimethoxybenzyl)thio]-1,3,4-thiadiazole-2-amine, 5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine, 5-{[(3,4,5-trimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine, 5-[(3,4,5-trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
Technical Specifications
| Molecular Formula | C12H15N3O3S2 |
| Molecular Weight | 313.05548 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.05548 Da |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CSC2=NN=C(S2)N |
| InChIKey | HDTLDSTWVHCYGU-UHFFFAOYSA-N |
Chemical Property Profile of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
Property Insights of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine. Following Lipinski's Rule of Five, 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
The CAS number of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine is 110076-52-3.
What is the molecular formula of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
The molecular formula of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine is C12H15N3O3S2.
What is the molecular weight of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
The molecular weight of 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine is 313.05548 g/mol.
Where can I buy 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
You can request a quote for 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
Yes, CoreyChem provides custom synthesis services for 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.