3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-
TL;DR: 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- (CAS 39631-37-3) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: SDCCGMLS-0065123.P001, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-, 5-(2-methoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione, J1.098.480G, 3-(2-methoxyphenyl) 5-mercapto-1,2,4-triazole
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.14289 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 488.55234 |
Chemical Identifiers
| CAS Number | 39631-37-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NC(=S)NN2 |
Product Overview
3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- (CAS 39631-37-3), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 5-(2-methoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-
Property Insights of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-
The XLogP value of 2.14289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-. With a topological polar surface area (TPSA) of 53.7 Ų, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- has 2 hydrogen bond donor(s) and 3 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 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- is 39631-37-3.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- is C9H9N3OS.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- is 207.05 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.