2,6-Dichloro-4-isothiocyanatophenol
TL;DR: 2,6-Dichloro-4-isothiocyanatophenol (CAS 56257-14-8) is a chemical compound with molecular formula C7H3Cl2NOS and molecular weight 218.93124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-4-isothiocyanatophenol
Also Known As: 2,6-dichloro-4-isothiocyanatophenol, 3,5-Dichloro-4-hydroxyphenyl thiocyanate, 3,5-dichloro-4-hydroxybenzenisothiocyanate, AN-806/25032003, EINECS 238-648-3
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl2NOS |
| Molecular Weight | 218.93124 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.93124 Da |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
| SMILES | C1=C(C=C(C(=C1Cl)O)Cl)N=C=S |
| InChIKey | BVNXYDCEURLGRS-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dichloro-4-isothiocyanatophenol
Property Insights of 2,6-Dichloro-4-isothiocyanatophenol
The XLogP value of 4.5 indicates that 2,6-Dichloro-4-isothiocyanatophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dichloro-4-isothiocyanatophenol. Following Lipinski's Rule of Five, 2,6-Dichloro-4-isothiocyanatophenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dichloro-4-isothiocyanatophenol?
The CAS number of 2,6-Dichloro-4-isothiocyanatophenol is 56257-14-8.
What is the molecular formula of 2,6-Dichloro-4-isothiocyanatophenol?
The molecular formula of 2,6-Dichloro-4-isothiocyanatophenol is C7H3Cl2NOS.
What is the molecular weight of 2,6-Dichloro-4-isothiocyanatophenol?
The molecular weight of 2,6-Dichloro-4-isothiocyanatophenol is 218.93124 g/mol.
Where can I buy 2,6-Dichloro-4-isothiocyanatophenol?
You can request a quote for 2,6-Dichloro-4-isothiocyanatophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dichloro-4-isothiocyanatophenol?
Yes, CoreyChem provides custom synthesis services for 2,6-Dichloro-4-isothiocyanatophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.