![2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one structure](/static/products/220/220862-87-3.png)
2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one
TL;DR: 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one (CAS 220862-87-3) is a chemical compound with molecular formula C10H6F3NOS and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]-1,2-thiazol-3-one
Also Known As: TMPI, IDH1-R132H inhibitor-1, 2-[3-(trifluoromethyl)phenyl]isothiazol-3(2H)-one, 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one, 2-[3-(trifluoromethyl)phenyl]-1,2-thiazol-3-one
| Molecular Formula | C10H6F3NOS |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 2.9178 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.01222 |
| Heavy Atoms | 16 |
| Complexity | 555.43207 |
Chemical Identifiers
| CAS Number | 220862-87-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C=CS2)C(F)(F)F |
Product Overview
2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one (CAS 220862-87-3), with molecular formula C10H6F3NOS and molecular weight 245.01 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]-1,2-thiazol-3-one.
Chemical Property Profile of 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one
Property Insights of 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one
The XLogP value of 2.9178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one. With a topological polar surface area (TPSA) of 22.0 Ų, 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one has 0 hydrogen bond donor(s) and 2 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 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one?
The CAS number of 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one is 220862-87-3.
What is the molecular formula of 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one?
The molecular formula of 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one is C10H6F3NOS.
What is the molecular weight of 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one?
The molecular weight of 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one is 245.01 g/mol.
Where can I buy 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one?
You can request a quote for 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Trifluoromethyl)phenyl]-4-isothiazoline-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.