5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438234-31-2) is a chemical compound with molecular formula C16H17N3S2 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethyl-5-methylthiophen-3-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide, 3-(4-ethyl-5-methylthiophen-3-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione, 5-(4-ethyl-5-methylthiophen-3-yl)-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol, 5-(4-ethyl-5-methyl(3-thienyl))-4-(3-methylphenyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C16H17N3S2 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 4.83763 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0864 |
| Heavy Atoms | 21 |
| Complexity | 839.3268 |
Chemical Identifiers
| CAS Number | 438234-31-2 |
|---|---|
| SMILES | CCC1=C(SC=C1C2=NNC(=S)N2C3=CC=CC(=C3)C)C |
Product Overview
5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438234-31-2), with molecular formula C16H17N3S2 and molecular weight 315.09 g/mol. IUPAC: 3-(4-ethyl-5-methylthiophen-3-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 4.83763 indicates that 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide 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 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide is 438234-31-2.
What is the molecular formula of 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide is C16H17N3S2.
What is the molecular weight of 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide is 315.09 g/mol.
Where can I buy 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-ethyl-5-methyl-3-thienyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.