2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
TL;DR: 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride (CAS 130997-57-8) is a chemical compound with molecular formula C12H11ClF6N2OS2 and molecular weight 411.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride
Also Known As: 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride, 2-Imino-3-(2-(2,2,2-trifluoroethylthio)ethyl)-6-trifluoromethoxybenzothiazoline hydrochloride, 3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrochloride, 3-{2-[(2,2,2-Trifluoroethyl)sulfanyl]ethyl}-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine--hydrogen chloride (1/1), RefChem:241483
| Molecular Formula | C12H11ClF6N2OS2 |
|---|---|
| Molecular Weight | 411.99 g/mol |
| LogP | 4.79817 |
| Topological Polar Surface Area | 38.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.99054 |
| Heavy Atoms | 24 |
| Complexity | 739.69403 |
Chemical Identifiers
| CAS Number | 130997-57-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCSCC(F)(F)F.Cl |
Product Overview
2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride (CAS 130997-57-8), with molecular formula C12H11ClF6N2OS2 and molecular weight 411.99 g/mol. IUPAC: 3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride.
Chemical Property Profile of 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
Property Insights of 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
The XLogP value of 4.79817 indicates that 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.01 Ų, 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride has 1 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 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride?
The CAS number of 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride is 130997-57-8.
What is the molecular formula of 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride?
The molecular formula of 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride is C12H11ClF6N2OS2.
What is the molecular weight of 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride?
The molecular weight of 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride is 411.99 g/mol.
Where can I buy 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride?
You can request a quote for 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.