2,4,6-Trichlorophenyl isothiocyanate
TL;DR: 2,4,6-Trichlorophenyl isothiocyanate (CAS 22134-07-2) is a chemical compound with molecular formula C7H2Cl3NS and molecular weight 236.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trichloro-2-isothiocyanatobenzene
Also Known As: 2,4,6-Trichlorophenyl isothiocyanate, 1,3,5-Trichloro-2-isothiocyanatobenzene, 2,4,6-TRICHLOROPHENylisoTHIOCYANATE, Flunarizinedihydrochloride, 4-Chloro-2-fluorobenzonitrile
| Molecular Formula | C7H2Cl3NS |
|---|---|
| Molecular Weight | 236.90 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.89735 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 22134-07-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N=C=S)Cl)Cl |
| InChIKey | DSXVZIOQROMOEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trichlorophenyl isothiocyanate (CAS 22134-07-2), with molecular formula C7H2Cl3NS and molecular weight 236.90 g/mol. IUPAC: 1,3,5-trichloro-2-isothiocyanatobenzene.
Chemical Property Profile of 2,4,6-Trichlorophenyl isothiocyanate
Property Insights of 2,4,6-Trichlorophenyl isothiocyanate
The XLogP value of 5.2 indicates that 2,4,6-Trichlorophenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 2,4,6-Trichlorophenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichlorophenyl isothiocyanate 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 2,4,6-Trichlorophenyl isothiocyanate?
The CAS number of 2,4,6-Trichlorophenyl isothiocyanate is 22134-07-2.
What is the molecular formula of 2,4,6-Trichlorophenyl isothiocyanate?
The molecular formula of 2,4,6-Trichlorophenyl isothiocyanate is C7H2Cl3NS.
What is the molecular weight of 2,4,6-Trichlorophenyl isothiocyanate?
The molecular weight of 2,4,6-Trichlorophenyl isothiocyanate is 236.90 g/mol.
Where can I buy 2,4,6-Trichlorophenyl isothiocyanate?
You can request a quote for 2,4,6-Trichlorophenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichlorophenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichlorophenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.