![Benzothiazole, 2-[(trifluoromethyl)thio]- structure](/static/products/636/63647-63-2.png)
Benzothiazole, 2-[(trifluoromethyl)thio]-
TL;DR: Benzothiazole, 2-[(trifluoromethyl)thio]- (CAS 63647-63-2) is a chemical compound with molecular formula C8H4F3NS2 and molecular weight 234.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethylsulfanyl)-1,3-benzothiazole
Also Known As: 2-Trifluoromethylthiobenzothiazol, Benzothiazole, 2-[(trifluoromethyl)thio]-, 2-(Trifluoromethylthio)benzothiazole, 2-((trifluoromethyl)thio)benzo[d]thiazole, 2-(trifluoromethylsulfanyl)-1,3-benzothiazole
| Molecular Formula | C8H4F3NS2 |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 3.9082 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.97372 |
| Heavy Atoms | 14 |
| Complexity | 416.02826 |
Chemical Identifiers
| CAS Number | 63647-63-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC(F)(F)F |
Product Overview
Benzothiazole, 2-[(trifluoromethyl)thio]- (CAS 63647-63-2), with molecular formula C8H4F3NS2 and molecular weight 234.97 g/mol. IUPAC: 2-(trifluoromethylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[(trifluoromethyl)thio]-
Property Insights of Benzothiazole, 2-[(trifluoromethyl)thio]-
The XLogP value of 3.9082 indicates that Benzothiazole, 2-[(trifluoromethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, Benzothiazole, 2-[(trifluoromethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-[(trifluoromethyl)thio]- 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 Benzothiazole, 2-[(trifluoromethyl)thio]-?
The CAS number of Benzothiazole, 2-[(trifluoromethyl)thio]- is 63647-63-2.
What is the molecular formula of Benzothiazole, 2-[(trifluoromethyl)thio]-?
The molecular formula of Benzothiazole, 2-[(trifluoromethyl)thio]- is C8H4F3NS2.
What is the molecular weight of Benzothiazole, 2-[(trifluoromethyl)thio]-?
The molecular weight of Benzothiazole, 2-[(trifluoromethyl)thio]- is 234.97 g/mol.
Where can I buy Benzothiazole, 2-[(trifluoromethyl)thio]-?
You can request a quote for Benzothiazole, 2-[(trifluoromethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(trifluoromethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(trifluoromethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.