3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide
TL;DR: 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide (CAS 477886-75-2) is a chemical compound with molecular formula C10H6ClF6NS and molecular weight 320.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-5-(trifluoromethyl)pyridine
Also Known As: 2N-760, 3-chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide, 3-chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-5-(trifluoromethyl)pyridine, 3-chloro-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-5-(trifluoromethyl)pyridine
| Molecular Formula | C10H6ClF6NS |
|---|---|
| Molecular Weight | 320.98 g/mol |
| LogP | 5.3136 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.98135 |
| Heavy Atoms | 19 |
| Complexity | 483.3985 |
Chemical Identifiers
| CAS Number | 477886-75-2 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)SCCC(=C(F)F)F)C(F)(F)F |
Product Overview
3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide (CAS 477886-75-2), with molecular formula C10H6ClF6NS and molecular weight 320.98 g/mol. IUPAC: 3-chloro-2-(3,4,4-trifluorobut-3-enylsulfanyl)-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide
Property Insights of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide
The XLogP value of 5.3136 indicates that 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide?
The CAS number of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide is 477886-75-2.
What is the molecular formula of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide?
The molecular formula of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide is C10H6ClF6NS.
What is the molecular weight of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide?
The molecular weight of 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide is 320.98 g/mol.
Where can I buy 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide?
You can request a quote for 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(trifluoromethyl)-2-pyridinyl 3,4,4-trifluoro-3-butenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.