4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione
TL;DR: 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione (CAS 31821-70-2) is a chemical compound with molecular formula C7H14N4S and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-pentyl-1H-1,2,4-triazole-5-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-pentyl-, J2.339.991A, 4-amino-3-pentyl-1H-1,2,4-triazole-5-thione, 4-amino-5-pentyl-4H-1,2,4-triazole-3-thiol, 4H-1,2,4-Triazole-3-thiol, 4-amino-5-pentyl-
| Molecular Formula | C7H14N4S |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.38719 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.09392 |
| Heavy Atoms | 12 |
| Complexity | 287.84164 |
Chemical Identifiers
| CAS Number | 31821-70-2 |
|---|---|
| SMILES | CCCCCC1=NNC(=S)N1N |
Product Overview
4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione (CAS 31821-70-2), with molecular formula C7H14N4S and molecular weight 186.09 g/mol. IUPAC: 4-amino-3-pentyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione
Property Insights of 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione
The XLogP value of 1.38719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 59.63 Ų, 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione has 2 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-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione is 31821-70-2.
What is the molecular formula of 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione is C7H14N4S.
What is the molecular weight of 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione is 186.09 g/mol.
Where can I buy 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-Amino-2,4-dihydro-5-pentyl-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-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2,4-dihydro-5-pentyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.