4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione (CAS 438232-83-8) is a chemical compound with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione, 4-(3-methylphenyl)-5-(3-methylthiophen-2-yl)-4H-1,2,4-triazole-3-thiol, 5-(3-methyl(2-thienyl))-4-(3-methylphenyl)-1,2,4-triazole-3-thiol, 4-(3-methylphenyl)-5-(3-methyl-2-thienyl)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C14H13N3S2 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 4.27523 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.05508 |
| Heavy Atoms | 19 |
| Complexity | 779.8425 |
Chemical Identifiers
| CAS Number | 438232-83-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NNC2=S)C3=C(C=CS3)C |
Product Overview
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione (CAS 438232-83-8), with molecular formula C14H13N3S2 and molecular weight 287.06 g/mol. IUPAC: 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.27523 indicates that 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-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, 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione 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-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione is 438232-83-8.
What is the molecular formula of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione is C14H13N3S2.
What is the molecular weight of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione is 287.06 g/mol.
Where can I buy 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-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 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.