4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 27105-98-2) is a chemical compound with molecular formula C4H7N3S and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-4H-1,2,4-triazole-3-thiol, 4-ethyl-1H-1,2,4-triazole-5-thione, 4-ethyl-1,2,4-triazole-3-thione, 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-Ethyl-4H-124-Triazole-3-Thiol
| Molecular Formula | C4H7N3S |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | 0.96059 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.03607 |
| Heavy Atoms | 8 |
| Complexity | 211.05804 |
Chemical Identifiers
| CAS Number | 27105-98-2 |
|---|---|
| SMILES | CCN1C=NNC1=S |
Product Overview
4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 27105-98-2), with molecular formula C4H7N3S and molecular weight 129.04 g/mol. IUPAC: 4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 0.96059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 33.61 Ų, 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 2 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-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 27105-98-2.
What is the molecular formula of 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C4H7N3S.
What is the molecular weight of 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 129.04 g/mol.
Where can I buy 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 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 4-Ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 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.