5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol (CAS 85102-99-4) is a chemical compound with molecular formula C6H11N3S and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-propyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol, 3-methyl-4-propyl-1H-1,2,4-triazole-5-thione, 2-chloro-N-(ethylcarbamoyl)acetamide, 5-methyl-4-propyl-1,2,4-triazole-3-thiol, 3-Benzyl-3H-imidazole-4-carbaldehyde
| Molecular Formula | C6H11N3S |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 1.65911 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.06737 |
| Heavy Atoms | 10 |
| Complexity | 260.2018 |
Chemical Identifiers
| CAS Number | 85102-99-4 |
|---|---|
| SMILES | CCCN1C(=NNC1=S)C |
Product Overview
5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol (CAS 85102-99-4), with molecular formula C6H11N3S and molecular weight 157.07 g/mol. IUPAC: 3-methyl-4-propyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.65911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-4-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 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol is 85102-99-4.
What is the molecular formula of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol is C6H11N3S.
What is the molecular weight of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol is 157.07 g/mol.
Where can I buy 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-methyl-4-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 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.