![5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol structure](/static/products/5738/5738-55-6.webp)
5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol
TL;DR: 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol (CAS 5738-55-6) is a chemical compound with molecular formula C12H15N3S and molecular weight 233.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol, Maybridge1_008512, 3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thiol, 3-(4-(Tert-butyl)phenyl)-1H-1,2,4-triazole-5-thiol, 5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
| Molecular Formula | C12H15N3S |
|---|---|
| Molecular Weight | 233.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.09866 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 5738-55-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC(=S)NN2 |
| InChIKey | IOJOIOYNUDYUPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol (CAS 5738-55-6), with molecular formula C12H15N3S and molecular weight 233.10 g/mol. IUPAC: 5-(4-tert-butylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol
Property Insights of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol
The XLogP value of 3.5 indicates that 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 1 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-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol?
The CAS number of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol is 5738-55-6.
What is the molecular formula of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol is C12H15N3S.
What is the molecular weight of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol is 233.10 g/mol.
Where can I buy 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[4-(tert-Butyl)phenyl]-1H-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-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.