![3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- structure](/static/products/164/164348-31-6.png)
3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-
TL;DR: 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- (CAS 164348-31-6) is a chemical compound with molecular formula C10H6F3NO2S and molecular weight 261.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-one
Also Known As: 2-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-one, 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-, 2-(4-trifluoromethoxyphenyl)-4-isothiazolin-3-on, 2-(4-trifluoromethoxyphenyl)-4-iso-thiazolin-3-on, 2-(4-trifluorornethoxyphenyl)-4-isothiazolin-3-on
| Molecular Formula | C10H6F3NO2S |
|---|---|
| Molecular Weight | 261.01 g/mol |
| LogP | 2.7976 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.00714 |
| Heavy Atoms | 17 |
| Complexity | 555.9202 |
Chemical Identifiers
| CAS Number | 164348-31-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C=CS2)OC(F)(F)F |
Product Overview
3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- (CAS 164348-31-6), with molecular formula C10H6F3NO2S and molecular weight 261.01 g/mol. IUPAC: 2-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-one.
Chemical Property Profile of 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-
Property Insights of 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-
The XLogP value of 2.7976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-. With a topological polar surface area (TPSA) of 31.23 Ų, 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- has 0 hydrogen bond donor(s) and 3 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 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-?
The CAS number of 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- is 164348-31-6.
What is the molecular formula of 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-?
The molecular formula of 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- is C10H6F3NO2S.
What is the molecular weight of 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-?
The molecular weight of 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- is 261.01 g/mol.
Where can I buy 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-?
You can request a quote for 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isothiazolone, 2-[4-(trifluoromethoxy)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.