![5-(Trifluoromethyl)benzo[d]isothiazol-3-amine structure](/static/products/613/613262-18-3.png)
5-(Trifluoromethyl)benzo[d]isothiazol-3-amine
TL;DR: 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine (CAS 613262-18-3) is a chemical compound with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-1,2-benzothiazol-3-amine
Also Known As: 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine, 1,2-Benzisothiazol-3-amine, 5-(trifluoromethyl)-, 5-(Trifluoromethyl)-1,2-benzisothiazol-3-amine, 5-(TRIFLUOROMETHYL)-1,2-BENZOTHIAZOL-3-AMINE, 3-(trifluoromethyl)-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-amine
| Molecular Formula | C8H5F3N2S |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 2.8973 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.01256 |
| Heavy Atoms | 14 |
| Complexity | 474.8814 |
Chemical Identifiers
| CAS Number | 613262-18-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)C(=NS2)N |
Product Overview
5-(Trifluoromethyl)benzo[d]isothiazol-3-amine (CAS 613262-18-3), with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol. IUPAC: 5-(trifluoromethyl)-1,2-benzothiazol-3-amine.
Chemical Property Profile of 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine
Property Insights of 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine
The XLogP value of 2.8973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine. With a topological polar surface area (TPSA) of 38.91 Ų, 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine has 1 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 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine?
The CAS number of 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine is 613262-18-3.
What is the molecular formula of 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine?
The molecular formula of 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine is C8H5F3N2S.
What is the molecular weight of 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine?
The molecular weight of 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine is 218.01 g/mol.
Where can I buy 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine?
You can request a quote for 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Trifluoromethyl)benzo[d]isothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.