3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione (CAS 90657-90-2) is a chemical compound with molecular formula C14H16ClN3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione, 5-(3-chlorophenyl)-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, A1908/0080186, 3-(3-chlorophenyl)-4-cyclohexyl-1,2,4-triazoline-5-thione, 3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-4-cyclohexyl-2,4-dihydro-
| Molecular Formula | C14H16ClN3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.07535 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 90657-90-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NNC2=S)C3=CC(=CC=C3)Cl |
| InChIKey | LEIRENIKKZDFIG-UHFFFAOYSA-N |
Product Overview
3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione (CAS 90657-90-2), with molecular formula C14H16ClN3S and molecular weight 293.08 g/mol. IUPAC: 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.1 indicates that 3-(3-chlorophenyl)-4-cyclohexyl-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 59.7 Ų, 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 2 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 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione is 90657-90-2.
What is the molecular formula of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione is C14H16ClN3S.
What is the molecular weight of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione is 293.08 g/mol.
Where can I buy 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(3-chlorophenyl)-4-cyclohexyl-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-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-4-cyclohexyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.