2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride
TL;DR: 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride (CAS 130997-63-6) is a chemical compound with molecular formula C11H12ClF3N2OS and molecular weight 312.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride
Also Known As: 2-Imino-3-propyl-6-trifluoromethoxybenzothiazoline hydrochloride, 3-Propyl-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrochloride, 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride, 3-propyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride, 3-propyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrochloride
| Molecular Formula | C11H12ClF3N2OS |
|---|---|
| Molecular Weight | 312.03 g/mol |
| LogP | 3.91267 |
| Topological Polar Surface Area | 38.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0311 |
| Heavy Atoms | 19 |
| Complexity | 620.4083 |
Chemical Identifiers
| CAS Number | 130997-63-6 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N.Cl |
Product Overview
2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride (CAS 130997-63-6), with molecular formula C11H12ClF3N2OS and molecular weight 312.03 g/mol. IUPAC: 3-propyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride.
Chemical Property Profile of 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride
Property Insights of 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride
The XLogP value of 3.91267 indicates that 2(3H)-Benzothiazolimine, 3-propyl-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-propyl-6-(trifluoromethoxy)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride 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 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride?
The CAS number of 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride is 130997-63-6.
What is the molecular formula of 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride?
The molecular formula of 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride is C11H12ClF3N2OS.
What is the molecular weight of 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride?
The molecular weight of 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride is 312.03 g/mol.
Where can I buy 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride?
You can request a quote for 2(3H)-Benzothiazolimine, 3-propyl-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-propyl-6-(trifluoromethoxy)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolimine, 3-propyl-6-(trifluoromethoxy)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.