3-cyclopentyl-1H-1,2,4-triazole-5-thiol
TL;DR: 3-cyclopentyl-1H-1,2,4-triazole-5-thiol (CAS 842971-25-9) is a chemical compound with molecular formula C7H11N3S and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclopentyl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 3-cyclopentyl-1H-1,2,4-triazole-5-thiol, 5-cyclopentyl-4H-1,2,4-triazole-3-thiol, 5-cyclopentyl-1,2-dihydro-1,2,4-triazole-3-thione, ASN 09858840, 1H-1,2,4-triazole-5-thiol, 3-cyclopentyl-
| Molecular Formula | C7H11N3S |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.12489 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.06737 |
| Heavy Atoms | 11 |
| Complexity | 281.87582 |
Chemical Identifiers
| CAS Number | 842971-25-9 |
|---|---|
| SMILES | C1CCC(C1)C2=NC(=S)NN2 |
Product Overview
3-cyclopentyl-1H-1,2,4-triazole-5-thiol (CAS 842971-25-9), with molecular formula C7H11N3S and molecular weight 169.07 g/mol. IUPAC: 5-cyclopentyl-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 3-cyclopentyl-1H-1,2,4-triazole-5-thiol
Property Insights of 3-cyclopentyl-1H-1,2,4-triazole-5-thiol
The XLogP value of 2.12489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyclopentyl-1H-1,2,4-triazole-5-thiol. With a topological polar surface area (TPSA) of 44.47 Ų, 3-cyclopentyl-1H-1,2,4-triazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cyclopentyl-1H-1,2,4-triazole-5-thiol has 2 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 3-cyclopentyl-1H-1,2,4-triazole-5-thiol?
The CAS number of 3-cyclopentyl-1H-1,2,4-triazole-5-thiol is 842971-25-9.
What is the molecular formula of 3-cyclopentyl-1H-1,2,4-triazole-5-thiol?
The molecular formula of 3-cyclopentyl-1H-1,2,4-triazole-5-thiol is C7H11N3S.
What is the molecular weight of 3-cyclopentyl-1H-1,2,4-triazole-5-thiol?
The molecular weight of 3-cyclopentyl-1H-1,2,4-triazole-5-thiol is 169.07 g/mol.
Where can I buy 3-cyclopentyl-1H-1,2,4-triazole-5-thiol?
You can request a quote for 3-cyclopentyl-1H-1,2,4-triazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyclopentyl-1H-1,2,4-triazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-cyclopentyl-1H-1,2,4-triazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.