5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 351065-74-2) is a chemical compound with molecular formula C14H14ClN3S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-cyclohex-2-en-1-yl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-chlorophenyl)-4-cyclohex-2-enyl-1,2,4-triazoline-5-thione, 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(2-chlorophenyl)-4-cyclohex-2-en-1-yl-1H-1,2,4-triazole-5-thione, 4H-1,2,4-Triazole-3(2H)-thione, 5-(2-chlorophenyl)-4-(2-cyclohexenyl)-, 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C14H14ClN3S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 4.54229 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0597 |
| Heavy Atoms | 19 |
| Complexity | 671.32574 |
Chemical Identifiers
| CAS Number | 351065-74-2 |
|---|---|
| SMILES | C1CC=CC(C1)N2C(=NNC2=S)C3=CC=CC=C3Cl |
Product Overview
5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 351065-74-2), with molecular formula C14H14ClN3S and molecular weight 291.06 g/mol. IUPAC: 3-(2-chlorophenyl)-4-cyclohex-2-en-1-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.54229 indicates that 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-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, 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-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 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 351065-74-2.
What is the molecular formula of 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C14H14ClN3S.
What is the molecular weight of 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 291.06 g/mol.
Where can I buy 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chlorophenyl)-4-(cyclohex-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.