1,2,4,5-Tetrachloro-3-isothiocyanatobenzene
TL;DR: 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene (CAS 393-09-9) is a chemical compound with molecular formula C7HCl4NS and molecular weight 270.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrachloro-3-isothiocyanatobenzene
Also Known As: 2,3,5,6-Tetrachlorophenyl isothiocyanate, C7HCl4NS, 1,2,4,5-tetrachloro-3-isothiocyanatobenzene, 5-Fluoro-2-nitrobenzotrifluoride, 2.3.5.6-Tetrachlorophenylisothiocyanat
| Molecular Formula | C7HCl4NS |
|---|---|
| Molecular Weight | 270.86 g/mol |
| LogP | 5.0345 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.85837 |
| Heavy Atoms | 13 |
| Complexity | 371.71927 |
Chemical Identifiers
| CAS Number | 393-09-9 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)N=C=S)Cl)Cl |
Product Overview
1,2,4,5-Tetrachloro-3-isothiocyanatobenzene (CAS 393-09-9), with molecular formula C7HCl4NS and molecular weight 270.86 g/mol. IUPAC: 1,2,4,5-tetrachloro-3-isothiocyanatobenzene.
Chemical Property Profile of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene
Property Insights of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene
The XLogP value of 5.0345 indicates that 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene?
The CAS number of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene is 393-09-9.
What is the molecular formula of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene?
The molecular formula of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene is C7HCl4NS.
What is the molecular weight of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene?
The molecular weight of 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene is 270.86 g/mol.
Where can I buy 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene?
You can request a quote for 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Tetrachloro-3-isothiocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.