(2,4,5-Trichlorophenyl)methyl thiocyanate
TL;DR: (2,4,5-Trichlorophenyl)methyl thiocyanate (CAS 17799-03-0) is a chemical compound with molecular formula C8H4Cl3NS and molecular weight 250.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl)methyl thiocyanate
Also Known As: (2,4,5-trichlorophenyl)methyl thiocyanate, 1,2,4-Trichloro-5-(thiocyanatomethyl)benzene
| Molecular Formula | C8H4Cl3NS |
|---|---|
| Molecular Weight | 250.91 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.91301 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 17799-03-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)CSC#N |
| InChIKey | OTTDPZLECHGRNG-UHFFFAOYSA-N |
Product Overview
(2,4,5-Trichlorophenyl)methyl thiocyanate (CAS 17799-03-0), with molecular formula C8H4Cl3NS and molecular weight 250.91 g/mol. IUPAC: (2,4,5-trichlorophenyl)methyl thiocyanate.
Chemical Property Profile of (2,4,5-Trichlorophenyl)methyl thiocyanate
Property Insights of (2,4,5-Trichlorophenyl)methyl thiocyanate
The XLogP value of 4.3 indicates that (2,4,5-Trichlorophenyl)methyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, (2,4,5-Trichlorophenyl)methyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,5-Trichlorophenyl)methyl thiocyanate has 0 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 (2,4,5-Trichlorophenyl)methyl thiocyanate?
The CAS number of (2,4,5-Trichlorophenyl)methyl thiocyanate is 17799-03-0.
What is the molecular formula of (2,4,5-Trichlorophenyl)methyl thiocyanate?
The molecular formula of (2,4,5-Trichlorophenyl)methyl thiocyanate is C8H4Cl3NS.
What is the molecular weight of (2,4,5-Trichlorophenyl)methyl thiocyanate?
The molecular weight of (2,4,5-Trichlorophenyl)methyl thiocyanate is 250.91 g/mol.
Where can I buy (2,4,5-Trichlorophenyl)methyl thiocyanate?
You can request a quote for (2,4,5-Trichlorophenyl)methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,5-Trichlorophenyl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (2,4,5-Trichlorophenyl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.