![3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine structure](/static/products/1023/1023515-07-2.webp)
3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine
TL;DR: 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine (CAS 1023515-07-2) is a chemical compound with molecular formula C13H6ClF3N2S2 and molecular weight 345.9613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-(4-isothiocyanatophenyl)sulfanyl-5-(trifluoromethyl)pyridine
Also Known As: 3-chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine, 3-chloro-2-(4-isothiocyanatophenyl)sulfanyl-5-(trifluoromethyl)pyridine, 4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLTHIO)PHENYLISOTHIOCYANATE, C13H6ClF3N2S2
Technical Specifications
| Molecular Formula | C13H6ClF3N2S2 |
| Molecular Weight | 345.9613 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.9613 Da |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
| SMILES | C1=CC(=CC=C1N=C=S)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
| InChIKey | HENYHAGYMLEVND-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine
Property Insights of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine
The XLogP value of 6.2 indicates that 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine. Following Lipinski's Rule of Five, 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine?
The CAS number of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine is 1023515-07-2.
What is the molecular formula of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine?
The molecular formula of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine is C13H6ClF3N2S2.
What is the molecular weight of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine?
The molecular weight of 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine is 345.9613 g/mol.
Where can I buy 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine?
You can request a quote for 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-[(4-isothiocyanatophenyl)sulfanyl]-5-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.