N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride
TL;DR: N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride (CAS 130997-41-0) is a chemical compound with molecular formula C11H13ClF3N3O3S2 and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-imino-5-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide;hydrochloride
Also Known As: N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride, 2-Imino-N-methyl-6-(trifluoromethoxy)-3(2H)-benzothiazoleethanesulfonamide monohyrochloride, 3(2H)-Benzothiazoleethanesulfonamide, 2-imino-N-methyl-6-(trifluoromethoxy)-, monohyrochloride, 2-[2-Imino-5-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3(2H)-yl]ethane-1-sulfonamide--hydrogen chloride (1/1), 2-[2-imino-5-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide hydrochloride
| Molecular Formula | C11H13ClF3N3O3S2 |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 2.09959 |
| Topological Polar Surface Area | 98.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0039 |
| Heavy Atoms | 23 |
| Complexity | 874.23975 |
Chemical Identifiers
| CAS Number | 130997-41-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCS(=O)(=O)N.Cl |
Product Overview
N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride (CAS 130997-41-0), with molecular formula C11H13ClF3N3O3S2 and molecular weight 391.00 g/mol. IUPAC: 2-[2-imino-5-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide;hydrochloride.
Chemical Property Profile of N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride
Property Insights of N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride
The XLogP value of 2.09959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride. The TPSA of 98.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride. Following Lipinski's Rule of Five, N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride has 2 hydrogen bond donor(s) and 5 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 N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride?
The CAS number of N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride is 130997-41-0.
What is the molecular formula of N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride?
The molecular formula of N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride is C11H13ClF3N3O3S2.
What is the molecular weight of N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride?
The molecular weight of N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride is 391.00 g/mol.
Where can I buy N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride?
You can request a quote for N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.