4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 512813-82-0) is a chemical compound with molecular formula C10H14ClN5S and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3-(4-chloro-1-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, 4-butyl-3-(4-chloro-1-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-butyl-3-(4-chloro-1-methyl-3-pyrazolyl)-1H-1,2,4-triazole-5-thione, 4-butyl-3-(4-chloro-1-methyl-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-butyl-3-(4-chloranyl-1-methyl-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C10H14ClN5S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 2.79469 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.06586 |
| Heavy Atoms | 17 |
| Complexity | 567.50354 |
Chemical Identifiers
| CAS Number | 512813-82-0 |
|---|---|
| SMILES | CCCCN1C(=NNC1=S)C2=NN(C=C2Cl)C |
Product Overview
4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 512813-82-0), with molecular formula C10H14ClN5S and molecular weight 271.07 g/mol. IUPAC: 4-butyl-3-(4-chloro-1-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.79469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 51.43 Ų, 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol has 1 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-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol is 512813-82-0.
What is the molecular formula of 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol is C10H14ClN5S.
What is the molecular weight of 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol is 271.07 g/mol.
Where can I buy 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-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-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.