4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one
TL;DR: 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one (CAS 117987-05-0) is a chemical compound with molecular formula C7H11N3OS and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentyl-5-sulfanylidene-1,2,4-triazol-3-one
Also Known As: 5-Hydroxy-4-pentyl-1,2,4-triazole-3-thiol, 4-pentyl-5-sulfanylidene-1,2,4-triazol-3-one, 4-pentyl-5-thioxo-4,5-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C7H11N3OS |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.06229 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 117987-05-0 |
|---|---|
| SMILES | CCCCCN1C(=O)N=NC1=S |
| InChIKey | MADOONYLBHTTMX-UHFFFAOYSA-N |
Product Overview
4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one (CAS 117987-05-0), with molecular formula C7H11N3OS and molecular weight 185.06 g/mol. IUPAC: 4-pentyl-5-sulfanylidene-1,2,4-triazol-3-one.
Chemical Property Profile of 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one
Property Insights of 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one has 0 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-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one?
The CAS number of 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one is 117987-05-0.
What is the molecular formula of 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one?
The molecular formula of 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one is C7H11N3OS.
What is the molecular weight of 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one?
The molecular weight of 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one is 185.06 g/mol.
Where can I buy 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one?
You can request a quote for 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentyl-5-sulfanylidene-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.