3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione
TL;DR: 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione (CAS 329063-98-1) is a chemical compound with molecular formula C21H31N3OS and molecular weight 373.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-decoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione, 3-(4-decoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-allyl-3-(4-(decyloxy)phenyl)-1H-1,2,4-triazole-5(4H)-thione, 5-(4-decoxyphenyl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione, 4-allyl-5-[4-(decyloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H31N3OS |
|---|---|
| Molecular Weight | 373.22 g/mol |
| LogP | 6.31319 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 373.21878 |
| Heavy Atoms | 26 |
| Complexity | 702.79144 |
Chemical Identifiers
| CAS Number | 329063-98-1 |
|---|---|
| SMILES | CCCCCCCCCCOC1=CC=C(C=C1)C2=NNC(=S)N2CC=C |
Product Overview
3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione (CAS 329063-98-1), with molecular formula C21H31N3OS and molecular weight 373.22 g/mol. IUPAC: 3-(4-decoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione
Property Insights of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione
The XLogP value of 6.31319 indicates that 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione?
The CAS number of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione is 329063-98-1.
What is the molecular formula of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione?
The molecular formula of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione is C21H31N3OS.
What is the molecular weight of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione?
The molecular weight of 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione is 373.22 g/mol.
Where can I buy 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione?
You can request a quote for 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Decyloxyphenyl)-4-prop-2-enyl-1,2,4-triazoline-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.