4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 634166-18-0) 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.
3-(methoxymethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol, 3-(methoxymethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 4-allyl-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione, 4H-1,2,4-triazole-3-thiol, 5-(methoxymethyl)-4-(2-propenyl)-
| Molecular Formula | C7H11N3OS |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 1.27309 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.06229 |
| Heavy Atoms | 12 |
| Complexity | 314.69653 |
Chemical Identifiers
| CAS Number | 634166-18-0 |
|---|---|
| SMILES | COCC1=NNC(=S)N1CC=C |
Product Overview
4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 634166-18-0), with molecular formula C7H11N3OS and molecular weight 185.06 g/mol. IUPAC: 3-(methoxymethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.27309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 42.84 Ų, 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-5-(methoxymethyl)-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-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol is 634166-18-0.
What is the molecular formula of 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol is C7H11N3OS.
What is the molecular weight of 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol is 185.06 g/mol.
Where can I buy 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-(methoxymethyl)-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-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.