![5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide structure](/static/products/818/81863-74-3.png)
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
TL;DR: 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 81863-74-3) is a chemical compound with molecular formula C15H12ClN3S2 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide, 3-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-2H-1,2,4-triazole-3-thione, 5-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C15H12ClN3S2 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 4.87559 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0161 |
| Heavy Atoms | 21 |
| Complexity | 778.68335 |
Chemical Identifiers
| CAS Number | 81863-74-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=CC=C(C=C3)Cl |
Product Overview
5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide (CAS 81863-74-3), with molecular formula C15H12ClN3S2 and molecular weight 333.02 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
Property Insights of 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
The XLogP value of 4.87559 indicates that 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide 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-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide 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-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide?
The CAS number of 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide is 81863-74-3.
What is the molecular formula of 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular formula of 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide is C15H12ClN3S2.
What is the molecular weight of 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide?
The molecular weight of 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide is 333.02 g/mol.
Where can I buy 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide?
You can request a quote for 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-chlorophenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.