5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-35-5) is a chemical compound with molecular formula C16H10ClF3N4S and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(3-Chlorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, 5-(3-CL-PH)-4-((4-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-5-(3-chlorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3-chlorophenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-5-(3-chlorophenyl)-1,2,4-tri azole-3-thiol
| Molecular Formula | C16H10ClF3N4S |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 5.16209 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.02667 |
| Heavy Atoms | 25 |
| Complexity | 974.03516 |
Chemical Identifiers
| CAS Number | 478255-35-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F |
Product Overview
5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-35-5), with molecular formula C16H10ClF3N4S and molecular weight 382.03 g/mol. IUPAC: 3-(3-chlorophenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.16209 indicates that 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol 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 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 478255-35-5.
What is the molecular formula of 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C16H10ClF3N4S.
What is the molecular weight of 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 382.03 g/mol.
Where can I buy 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-CL-PH)-4-((4-(Trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.