2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione (CAS 2160-14-7) is a chemical compound with molecular formula C14H18N4S and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: BAS 00670846, 4-phenyl-1-(piperidylmethyl)-1,2,4-triazoline-5-thione, 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione, 4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione, 4-Phenyl-2-piperidin-1-ylmethyl-2,4-dihydro-[1,2,4]triazole-3-thione
| Molecular Formula | C14H18N4S |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.1252 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 2160-14-7 |
|---|---|
| SMILES | C1CCN(CC1)CN2C(=S)N(C=N2)C3=CC=CC=C3 |
| InChIKey | IKLIWVSALAEESY-UHFFFAOYSA-N |
Product Overview
2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione (CAS 2160-14-7), with molecular formula C14H18N4S and molecular weight 274.13 g/mol. IUPAC: 4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 54.2 Ų, 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione has 0 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 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione is 2160-14-7.
What is the molecular formula of 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione is C14H18N4S.
What is the molecular weight of 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione is 274.13 g/mol.
Where can I buy 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-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 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-4-phenyl-2-(1-piperidinylmethyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.