3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione (CAS 305337-55-7) is a chemical compound with molecular formula C16H21N3S and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00792553, 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione, 5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-(2-methyl-2-propen-1-yl)-3H-1,2,4-triazole-3-thione, 5-(4-tert-butylphenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl hydrosulfide, 5-(4-tert-Butyl-phenyl)-4-(2-methyl-allyl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C16H21N3S |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 4.48129 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.14563 |
| Heavy Atoms | 20 |
| Complexity | 668.9829 |
Chemical Identifiers
| CAS Number | 305337-55-7 |
|---|---|
| SMILES | CC(=C)CN1C(=NNC1=S)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione (CAS 305337-55-7), with molecular formula C16H21N3S and molecular weight 287.15 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.48129 indicates that 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione 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 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione is 305337-55-7.
What is the molecular formula of 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione is C16H21N3S.
What is the molecular weight of 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione is 287.15 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-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-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.