3,4,5,6-四氯-1,2-苯二硫酚
TL;DR: 3,4,5,6-四氯-1,2-苯二硫酚 (CAS 13801-50-8) is a chemical compound with molecular formula C6H2Cl4S2 and molecular weight 277.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-四氯-1,2-苯二硫酚
3,4,5,6-tetrachlorobenzene-1,2-dithiol
Also Known As: Tetrachloro-o-benzenedithiol, tetrachlorobenzene-1,2-dithiol, 3,4,5,6-tetrachlorobenzene-1,2-dithiol, 1,2-Benzenedithiol, 3,4,5,6-tetrachloro-, 3,4,5,6-Tetrachloro-1,2-benzenedithiol
| Molecular Formula | C6H2Cl4S2 |
|---|---|
| Molecular Weight | 277.84 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.83224 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 13801-50-8 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)S)S |
| InChIKey | MSSNSTXFTUNKQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5,6-四氯-1,2-苯二硫酚 (CAS 13801-50-8), with molecular formula C6H2Cl4S2 and molecular weight 277.84 g/mol. IUPAC: 3,4,5,6-tetrachlorobenzene-1,2-dithiol.
Chemical Property Profile of 3,4,5,6-四氯-1,2-苯二硫酚
Property Insights of 3,4,5,6-四氯-1,2-苯二硫酚
The XLogP value of 4.7 indicates that 3,4,5,6-四氯-1,2-苯二硫酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, 3,4,5,6-四氯-1,2-苯二硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-四氯-1,2-苯二硫酚 has 2 hydrogen bond donor(s) and 2 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 3,4,5,6-四氯-1,2-苯二硫酚?
The CAS number of 3,4,5,6-四氯-1,2-苯二硫酚 is 13801-50-8.
What is the molecular formula of 3,4,5,6-四氯-1,2-苯二硫酚?
The molecular formula of 3,4,5,6-四氯-1,2-苯二硫酚 is C6H2Cl4S2.
What is the molecular weight of 3,4,5,6-四氯-1,2-苯二硫酚?
The molecular weight of 3,4,5,6-四氯-1,2-苯二硫酚 is 277.84 g/mol.
Where can I buy 3,4,5,6-四氯-1,2-苯二硫酚?
You can request a quote for 3,4,5,6-四氯-1,2-苯二硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-四氯-1,2-苯二硫酚?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-四氯-1,2-苯二硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.