![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 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H15N3O3S2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 2.4384 |
| Topological Polar Surface Area | 79.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.05548 |
| Heavy Atoms | 20 |
| Complexity | 564.07166 |
Chemical Identifiers
| CAS Number | 110076-52-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CSC2=NN=C(S2)N |
Product Overview
5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine (CAS 110076-52-3), with molecular formula C12H15N3O3S2 and molecular weight 313.06 g/mol. IUPAC: 5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
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 2.4384 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 79.49 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
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 313.06 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3,4,5-Trimethoxyphenyl)methylthio]-1,3,4-thiadiazole-2-ylamine?
Yes, KEHONG BIO 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.