2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione (CAS 129119-80-8) is a chemical compound with molecular formula C14H12N4S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-Benzyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol, 4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, SDCCGMLS-0064965.P001, BAS 02749688
| Molecular Formula | C14H12N4S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07828 |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 129119-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CN=CC=C3 |
| InChIKey | PXHPPVLWNLIWNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione (CAS 129119-80-8), with molecular formula C14H12N4S and molecular weight 268.08 g/mol. IUPAC: 4-benzyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione has 1 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-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione is 129119-80-8.
What is the molecular formula of 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione is C14H12N4S.
What is the molecular weight of 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione is 268.08 g/mol.
Where can I buy 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-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-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-4-(phenylmethyl)-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.