3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
TL;DR: 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride (CAS 130997-61-4) is a chemical compound with molecular formula C10H10ClF3N2OS and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride
Also Known As: 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride, 3-Ethyl-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrochloride, 2(3H)-Benzothiazolimine, 3-ethyl-6-(trifluoromethoxy)-, monohydrochloride, 3-Ethyl-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine--hydrogen chloride (1/1), 3-ethyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrochloride
| Molecular Formula | C10H10ClF3N2OS |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 3.52257 |
| Topological Polar Surface Area | 38.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.01544 |
| Heavy Atoms | 18 |
| Complexity | 605.16907 |
Chemical Identifiers
| CAS Number | 130997-61-4 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N.Cl |
Product Overview
3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride (CAS 130997-61-4), with molecular formula C10H10ClF3N2OS and molecular weight 298.02 g/mol. IUPAC: 3-ethyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride.
Chemical Property Profile of 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
Property Insights of 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
The XLogP value of 3.52257 indicates that 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.01 Ų, 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride 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 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
The CAS number of 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride is 130997-61-4.
What is the molecular formula of 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
The molecular formula of 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride is C10H10ClF3N2OS.
What is the molecular weight of 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
The molecular weight of 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride is 298.02 g/mol.
Where can I buy 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
You can request a quote for 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.