(RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride
TL;DR: (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride (CAS 130997-54-5) is a chemical compound with molecular formula C13H18Cl2F3N3OS and molecular weight 391.05 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N,N-dimethylpropan-2-amine;dihydrochloride
Also Known As: (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride, 3(2H)-Benzothiazoleethanamine, 2-imino-N,N,alpha-trimethyl-6-(trifluoromethoxy)-, dihydrochloride, (+-)-, 1-[2-Imino-6-(trifluoromethoxy)-1,3-benzothiazol-3(2H)-yl]-N,N-dimethylpropan-2-amine--hydrogen chloride (1/2), 1-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N,N-dimethylpropan-2-amine dihydrochloride
Technical Specifications
| Molecular Formula | C13H18Cl2F3N3OS |
| Molecular Weight | 391.05 g/mol |
| XLogP | 3.87457 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.05 Da |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
| SMILES | CC(CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N)N(C)C.Cl.Cl |
| InChIKey | ZLFMQNUMBGBAKO-UHFFFAOYSA-N |
Chemical Property Profile of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride
Property Insights of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride
The XLogP value of 3.87457 indicates that (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride. Following Lipinski's Rule of Five, (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
The CAS number of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is 130997-54-5.
What is the molecular formula of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
The molecular formula of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is C13H18Cl2F3N3OS.
What is the molecular weight of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
The molecular weight of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is 391.05 g/mol.
Where can I buy (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
You can request a quote for (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
Yes, CoreyChem provides custom synthesis services for (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.