3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine
TL;DR: 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine (CAS 130997-74-9) is a chemical compound with molecular formula C14H11F3N4O2S2 and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-pyrimidin-2-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Also Known As: 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine, 2-Imino-3-(2-(2-pyrimidinylsulphinyl)ethyl)-6-trifluoromethoxybenzothiazoline, 2(3H)-Benzothiazolimine, 3-(2-(2-pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-, 2(3H)-Benzothiazolimine,3-[2-(2-pyrimidinylsulfinyl)ethyl]-6-(trifluoromethoxy)-, 2-Imino-3-[2-(2-pyrimidinylsulphinyl)ethyl]-6-trifluoromethoxybenzothiazoline
| Molecular Formula | C14H11F3N4O2S2 |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 2.67867 |
| Topological Polar Surface Area | 80.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.02756 |
| Heavy Atoms | 25 |
| Complexity | 969.6076 |
Chemical Identifiers
| CAS Number | 130997-74-9 |
|---|---|
| SMILES | C1=CN=C(N=C1)S(=O)CCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N |
Product Overview
3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine (CAS 130997-74-9), with molecular formula C14H11F3N4O2S2 and molecular weight 388.03 g/mol. IUPAC: 3-(2-pyrimidin-2-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine.
Chemical Property Profile of 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine
Property Insights of 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine
The XLogP value of 2.67867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine. The TPSA of 80.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine. Following Lipinski's Rule of Five, 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine has 1 hydrogen bond donor(s) and 6 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-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine?
The CAS number of 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine is 130997-74-9.
What is the molecular formula of 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine?
The molecular formula of 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine is C14H11F3N4O2S2.
What is the molecular weight of 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine?
The molecular weight of 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine is 388.03 g/mol.
Where can I buy 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine?
You can request a quote for 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(2-Pyrimidinylsulfinyl)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.