5-Methylthio-2,4,2',4'-tetrachlorobiphenyl
TL;DR: 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl (CAS 66641-84-7) is a chemical compound with molecular formula C14H17ClN2OS and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 3-(1-phenylethyl)imidazole-4-carbothioate;hydrochloride
Also Known As: 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl, 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-ethyl ester, hydrochloride, (+)-, 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-ethyl ester, hydrochloride, (+-)-, (+)-S-Ethyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride, (+-)-S-Ethyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride
| Molecular Formula | C14H17ClN2OS |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.8075 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.075 |
| Heavy Atoms | 19 |
| Complexity | 527.2521 |
Chemical Identifiers
| CAS Number | 66641-84-7 |
|---|---|
| SMILES | CCSC(=O)C1=CN=CN1C(C)C2=CC=CC=C2.Cl |
Product Overview
5-Methylthio-2,4,2',4'-tetrachlorobiphenyl (CAS 66641-84-7), with molecular formula C14H17ClN2OS and molecular weight 296.07 g/mol. IUPAC: S-ethyl 3-(1-phenylethyl)imidazole-4-carbothioate;hydrochloride.
Chemical Property Profile of 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl
Property Insights of 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl
The XLogP value of 3.8075 indicates that 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl has 0 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 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl?
The CAS number of 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl is 66641-84-7.
What is the molecular formula of 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl?
The molecular formula of 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl is C14H17ClN2OS.
What is the molecular weight of 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl?
The molecular weight of 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl is 296.07 g/mol.
Where can I buy 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl?
You can request a quote for 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylthio-2,4,2',4'-tetrachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.