5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 438229-96-0) is a chemical compound with molecular formula C10H13N3S2 and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dimethylthiophen-3-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4,5-dimethylthien-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-(4,5-dimethyl-3-thienyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-(4,5-dimethylthiophen-3-yl)-4-ethyl-1H-1,2,4-triazole-5-thione, 5- -4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C10H13N3S2 |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05508 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 438229-96-0 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CSC(=C2C)C |
| InChIKey | BFYUHUPSLYRBIE-UHFFFAOYSA-N |
Product Overview
5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 438229-96-0), with molecular formula C10H13N3S2 and molecular weight 239.06 g/mol. IUPAC: 3-(4,5-dimethylthiophen-3-yl)-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-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 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 438229-96-0.
What is the molecular formula of 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C10H13N3S2.
What is the molecular weight of 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 239.06 g/mol.
Where can I buy 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-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 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4,5-Dimethylthiophen-3-yl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.