2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate
TL;DR: 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate (CAS 130997-47-6) is a chemical compound with molecular formula C16H14F3N3OS2 and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Also Known As: 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate, 2-Imino-3-(2-(2-pyridylmethylthio)ethyl)-6-trifluoromethoxybenzothiazoline, 3-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine, 3-(2-{[(Pyridin-2-yl)methyl]sulfanyl}ethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine, RefChem:241488
| Molecular Formula | C16H14F3N3OS2 |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 4.40927 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.05304 |
| Heavy Atoms | 25 |
| Complexity | 906.3692 |
Chemical Identifiers
| CAS Number | 130997-47-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)CSCCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N |
Product Overview
2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate (CAS 130997-47-6), with molecular formula C16H14F3N3OS2 and molecular weight 385.05 g/mol. IUPAC: 3-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine.
Chemical Property Profile of 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate
Property Insights of 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate
The XLogP value of 4.40927 indicates that 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate has 1 hydrogen bond donor(s) and 5 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-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate?
The CAS number of 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate is 130997-47-6.
What is the molecular formula of 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate?
The molecular formula of 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate is C16H14F3N3OS2.
What is the molecular weight of 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate?
The molecular weight of 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate is 385.05 g/mol.
Where can I buy 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate?
You can request a quote for 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate 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-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.