3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE
TL;DR: 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE (CAS 1022352-89-1) is a chemical compound with molecular formula C16H9ClF6N4S3 and molecular weight 501.95822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4-[4-(trifluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE, 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-[4-(trifluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-thione, 3-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-{4-[(trifluoromethyl)sulfanyl]phenyl}-4,5-dihydro-1H-1,2,4-triazole-5-thione, 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-[4-(trifluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-thione, C16H9ClF6N4S3
Technical Specifications
| Molecular Formula | C16H9ClF6N4S3 |
| Molecular Weight | 501.95822 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.95822 Da |
| Heavy Atoms | 30 |
| Complexity | 654.0 |
| SMILES | C1=CC(=CC=C1N2C(=NNC2=S)CSC3=C(C=C(C=N3)C(F)(F)F)Cl)SC(F)(F)F |
| InChIKey | DDCGIPZWBSOCDM-UHFFFAOYSA-N |
Chemical Property Profile of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE
Property Insights of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE
The XLogP value of 6.3 indicates that 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE. Following Lipinski's Rule of Five, 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
The CAS number of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE is 1022352-89-1.
What is the molecular formula of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
The molecular formula of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE is C16H9ClF6N4S3.
What is the molecular weight of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
The molecular weight of 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE is 501.95822 g/mol.
Where can I buy 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
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Does CoreyChem offer custom synthesis for 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
Yes, CoreyChem provides custom synthesis services for 3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))METHYL)-4-(4-(TRIFLUOROMETHYLTHIO)PHENYL)-1,2,4-TRIAZOLINE-5-THIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.