4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 69164-27-8) is a chemical compound with molecular formula C7H7N3S2 and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol, 4-Benzyloxybenzonitrile, 4-methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol, Maybridge1_004615, 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C7H7N3S2 |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.00813 |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 69164-27-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC=CS2 |
| InChIKey | GTZYOWSGQWQEEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 69164-27-8), with molecular formula C7H7N3S2 and molecular weight 197.01 g/mol. IUPAC: 4-methyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol 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 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 69164-27-8.
What is the molecular formula of 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is C7H7N3S2.
What is the molecular weight of 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 197.01 g/mol.
Where can I buy 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.