4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline
TL;DR: 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline (CAS 306979-50-0) is a chemical compound with molecular formula C9H3Cl2F3N2S2 and molecular weight 329.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]dithiazol-5-imine
Also Known As: 12K-010, 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline, 4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]dithiazol-5-imine, (5Z)-4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-5H-1,2,3-dithiazol-5-imine, 4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3-dithiazol-5-imine
| Molecular Formula | C9H3Cl2F3N2S2 |
|---|---|
| Molecular Weight | 329.91 g/mol |
| LogP | 4.7626 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.90668 |
| Heavy Atoms | 18 |
| Complexity | 633.2284 |
Chemical Identifiers
| CAS Number | 306979-50-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C2C(=NSS2)Cl)C(F)(F)F)Cl |
Product Overview
4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline (CAS 306979-50-0), with molecular formula C9H3Cl2F3N2S2 and molecular weight 329.91 g/mol. IUPAC: 4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]dithiazol-5-imine.
Chemical Property Profile of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline
Property Insights of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline
The XLogP value of 4.7626 indicates that 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.25 Ų, 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline?
The CAS number of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline is 306979-50-0.
What is the molecular formula of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline?
The molecular formula of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline is C9H3Cl2F3N2S2.
What is the molecular weight of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline?
The molecular weight of 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline is 329.91 g/mol.
Where can I buy 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline?
You can request a quote for 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.