2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride
TL;DR: 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride (CAS 130997-73-8) is a chemical compound with molecular formula C16H14ClF3N2OS2 and molecular weight 406.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride
Also Known As: 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride, 3-(2-(Phenylthio)ethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrochloride, 2(3H)-Benzothiazolimine, 3-(2-(phenylthio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride, 2-Imino-3-(2-phenylthioethyl)-6 -trifluoromethoxybenzothiazoline hydrochloride, 2-Imino-3-(2-phenylthioethyl)-6- trifluoromethoxybenzothiazoline hydrochloride
| Molecular Formula | C16H14ClF3N2OS2 |
|---|---|
| Molecular Weight | 406.02 g/mol |
| LogP | 5.29497 |
| Topological Polar Surface Area | 38.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.01883 |
| Heavy Atoms | 25 |
| Complexity | 893.7715 |
Chemical Identifiers
| CAS Number | 130997-73-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N.Cl |
Product Overview
2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride (CAS 130997-73-8), with molecular formula C16H14ClF3N2OS2 and molecular weight 406.02 g/mol. IUPAC: 3-(2-phenylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride.
Chemical Property Profile of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride
Property Insights of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride
The XLogP value of 5.29497 indicates that 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride 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-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride?
The CAS number of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride is 130997-73-8.
What is the molecular formula of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride?
The molecular formula of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride is C16H14ClF3N2OS2.
What is the molecular weight of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride?
The molecular weight of 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride is 406.02 g/mol.
Where can I buy 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride?
You can request a quote for 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-3-(2-phenylthioethyl)-6-trifluoromethoxybenzothiazoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.