2,3,5,6-Tetrachlorothioanisole
TL;DR: 2,3,5,6-Tetrachlorothioanisole (CAS 68671-90-9) is a chemical compound with molecular formula C7H4Cl4S and molecular weight 259.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrachloro-3-methylsulfanylbenzene
Also Known As: 2,3,5,6-Tetrachlorothioanisole, tecnazene metabolite, 1,2,4,5-Tetrachloro-3-(methylthio)benzene, 7-oxa-2-azaspiro[3.5]nonane, 1,2,4,5-tetrachloro-3-methylsulfanylbenzene
| Molecular Formula | C7H4Cl4S |
|---|---|
| Molecular Weight | 259.88 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.87582 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 68671-90-9 |
|---|---|
| SMILES | CSC1=C(C(=CC(=C1Cl)Cl)Cl)Cl |
| InChIKey | RHWCBXIUVHNKQC-UHFFFAOYSA-N |
Product Overview
2,3,5,6-Tetrachlorothioanisole (CAS 68671-90-9), with molecular formula C7H4Cl4S and molecular weight 259.88 g/mol. IUPAC: 1,2,4,5-tetrachloro-3-methylsulfanylbenzene.
Chemical Property Profile of 2,3,5,6-Tetrachlorothioanisole
Property Insights of 2,3,5,6-Tetrachlorothioanisole
The XLogP value of 5.1 indicates that 2,3,5,6-Tetrachlorothioanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,3,5,6-Tetrachlorothioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrachlorothioanisole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,5,6-Tetrachlorothioanisole?
The CAS number of 2,3,5,6-Tetrachlorothioanisole is 68671-90-9.
What is the molecular formula of 2,3,5,6-Tetrachlorothioanisole?
The molecular formula of 2,3,5,6-Tetrachlorothioanisole is C7H4Cl4S.
What is the molecular weight of 2,3,5,6-Tetrachlorothioanisole?
The molecular weight of 2,3,5,6-Tetrachlorothioanisole is 259.88 g/mol.
Where can I buy 2,3,5,6-Tetrachlorothioanisole?
You can request a quote for 2,3,5,6-Tetrachlorothioanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrachlorothioanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrachlorothioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.