4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol (CAS 667444-97-5) is a chemical compound with molecular formula C10H17N3S and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclopentyl-3-propyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol, 4-cyclopentyl-3-propyl-1H-1,2,4-triazole-5-thione, 4-cyclopentyl-5-propyl-1,2,4-triazole-3-thiol, 3H-1,2,4-Triazole-3-thione, 4-cyclopentyl-2,4-dihydro-5-propyl-
| Molecular Formula | C10H17N3S |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 3.00829 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.11432 |
| Heavy Atoms | 14 |
| Complexity | 346.49423 |
Chemical Identifiers
| CAS Number | 667444-97-5 |
|---|---|
| SMILES | CCCC1=NNC(=S)N1C2CCCC2 |
Product Overview
4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol (CAS 667444-97-5), with molecular formula C10H17N3S and molecular weight 211.11 g/mol. IUPAC: 4-cyclopentyl-3-propyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.00829 indicates that 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol 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-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol is 667444-97-5.
What is the molecular formula of 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol is C10H17N3S.
What is the molecular weight of 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol is 211.11 g/mol.
Where can I buy 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-cyclopentyl-5-propyl-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-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-cyclopentyl-5-propyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.