![3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione structure](/static/products/1024/1024477-93-7.webp)
3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 1024477-93-7) is a chemical compound with molecular formula C16H14ClN3S2 and molecular weight 347.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 3-((4-CHLOROPHENYLTHIO)ETHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE, 5-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-2H-1,2,4-triazole-3-thione, 3-{1-[(4-chlorophenyl)sulfanyl]ethyl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 5-{1-[(4-chlorophenyl)sulfanyl]ethyl}-4-phenyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14ClN3S2 |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | 5.43659 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.03177 |
| Heavy Atoms | 22 |
| Complexity | 809.41223 |
Chemical Identifiers
| CAS Number | 1024477-93-7 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1C2=CC=CC=C2)SC3=CC=C(C=C3)Cl |
Product Overview
3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 1024477-93-7), with molecular formula C16H14ClN3S2 and molecular weight 347.03 g/mol. IUPAC: 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 5.43659 indicates that 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-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-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-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-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 1024477-93-7.
What is the molecular formula of 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is C16H14ClN3S2.
What is the molecular weight of 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 347.03 g/mol.
Where can I buy 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-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-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(4-chlorophenyl)sulfanylethyl]-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.