![3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione structure](/static/products/1023/1023875-59-3.webp)
3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 1023875-59-3) is a chemical compound with molecular formula C15H10ClF3N4S2 and molecular weight 402.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE, 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H10ClF3N4S2 |
|---|---|
| Molecular Weight | 402.00 g/mol |
| LogP | 5.28939 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.99875 |
| Heavy Atoms | 25 |
| Complexity | 937.9398 |
Chemical Identifiers
| CAS Number | 1023875-59-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 1023875-59-3), with molecular formula C15H10ClF3N4S2 and molecular weight 402.00 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 5.28939 indicates that 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-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 46.5 Ų, 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-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-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 1023875-59-3.
What is the molecular formula of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is C15H10ClF3N4S2.
What is the molecular weight of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 402.00 g/mol.
Where can I buy 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-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-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.