2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione
TL;DR: 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione (CAS 309266-36-2) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: TimTec1_004342, 2-(hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione, 2-(hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 2-hydroxymethyl-5-(4-methoxyphenyl)-4-phenyl-2h-1,2,4-triazole-3(4h)-thione
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 309266-36-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CO |
| InChIKey | LESDTVBHGYYKLM-UHFFFAOYSA-N |
Product Overview
2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione (CAS 309266-36-2), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 2-(hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione
Property Insights of 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 4 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 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione?
The CAS number of 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione is 309266-36-2.
What is the molecular formula of 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione?
The molecular formula of 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione is C16H15N3O2S.
What is the molecular weight of 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione?
The molecular weight of 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione is 313.09 g/mol.
Where can I buy 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione?
You can request a quote for 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.