2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-
TL;DR: 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- (CAS 130997-59-0) is a chemical compound with molecular formula C9H7F3N2OS and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Also Known As: 2-Imino-3-methyl-6-trifluoromethoxybenzothiazoline, 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-, 3-Methyl-6-(trifluoromethoxy)-2(3H)-benzothiazolimine, J1.158.793C, 3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
| Molecular Formula | C9H7F3N2OS |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 2.61787 |
| Topological Polar Surface Area | 38.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.02312 |
| Heavy Atoms | 16 |
| Complexity | 584.4321 |
Chemical Identifiers
| CAS Number | 130997-59-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N |
Product Overview
2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- (CAS 130997-59-0), with molecular formula C9H7F3N2OS and molecular weight 248.02 g/mol. IUPAC: 3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine.
Chemical Property Profile of 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-
Property Insights of 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-
The XLogP value of 2.61787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-. With a topological polar surface area (TPSA) of 38.01 Ų, 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- 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-methyl-6-(trifluoromethoxy)-?
The CAS number of 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- is 130997-59-0.
What is the molecular formula of 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-?
The molecular formula of 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- is C9H7F3N2OS.
What is the molecular weight of 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-?
The molecular weight of 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- is 248.02 g/mol.
Where can I buy 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-?
You can request a quote for 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- 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-methyl-6-(trifluoromethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.