![5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol structure](/static/products/873/873790-27-3.png)
5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol
TL;DR: 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 873790-27-3) is a chemical compound with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-{[(4-methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol, Maybridge3_005718, IDI1_017105, 5-[(4-methoxyphenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione, 5-[(4-methoxybenzyl)amino]-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C10H11N3OS2 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 2.82139 |
| Topological Polar Surface Area | 49.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.03435 |
| Heavy Atoms | 16 |
| Complexity | 503.28275 |
Chemical Identifiers
| CAS Number | 873790-27-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NNC(=S)S2 |
Product Overview
5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 873790-27-3), with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol. IUPAC: 5-[(4-methoxyphenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol
Property Insights of 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.82139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 49.94 Ų, 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol has 2 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-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol is 873790-27-3.
What is the molecular formula of 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol is C10H11N3OS2.
What is the molecular weight of 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol is 253.03 g/mol.
Where can I buy 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Methoxyphenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.