3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine
TL;DR: 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine (CAS 130997-52-3) is a chemical compound with molecular formula C12H9F3N2OS and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-but-3-ynyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Also Known As: 3-(3-Butynyl)-2-imino-6-trifluoromethoxybenzothiazoline, 3-(3-Butynyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine, 2(3H)-Benzothiazolimine, 3-(3-butynyl)-6-(trifluoromethoxy)-, 3-but-3-ynyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine, 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine
| Molecular Formula | C12H9F3N2OS |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.10417 |
| Topological Polar Surface Area | 38.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.03876 |
| Heavy Atoms | 19 |
| Complexity | 693.53314 |
Chemical Identifiers
| CAS Number | 130997-52-3 |
|---|---|
| SMILES | C#CCCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N |
Product Overview
3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine (CAS 130997-52-3), with molecular formula C12H9F3N2OS and molecular weight 286.04 g/mol. IUPAC: 3-but-3-ynyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine.
Chemical Property Profile of 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine
Property Insights of 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine
The XLogP value of 3.10417 indicates that 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.01 Ų, 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine 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 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine?
The CAS number of 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine is 130997-52-3.
What is the molecular formula of 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine?
The molecular formula of 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine is C12H9F3N2OS.
What is the molecular weight of 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine?
The molecular weight of 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine is 286.04 g/mol.
Where can I buy 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine?
You can request a quote for 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-(But-3-yn-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.