1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone
TL;DR: 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone (CAS 847231-82-7) is a chemical compound with molecular formula C9H4Cl3NOS and molecular weight 278.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2,4,5-trichlorophenyl)ethyl] thiocyanate
Also Known As: Not Available, 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone, 2,4,5-Trichlorophenacylthiocyanate, [2-oxo-2-(2,4,5-trichlorophenyl)ethyl] thiocyanate
| Molecular Formula | C9H4Cl3NOS |
|---|---|
| Molecular Weight | 278.91 g/mol |
| LogP | 4.04378 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.90793 |
| Heavy Atoms | 15 |
| Complexity | 441.71896 |
Chemical Identifiers
| CAS Number | 847231-82-7 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)CSC#N |
Product Overview
1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone (CAS 847231-82-7), with molecular formula C9H4Cl3NOS and molecular weight 278.91 g/mol. IUPAC: [2-oxo-2-(2,4,5-trichlorophenyl)ethyl] thiocyanate.
Chemical Property Profile of 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone
Property Insights of 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone
The XLogP value of 4.04378 indicates that 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone has 0 hydrogen bond donor(s) and 3 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 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone?
The CAS number of 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone is 847231-82-7.
What is the molecular formula of 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone?
The molecular formula of 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone is C9H4Cl3NOS.
What is the molecular weight of 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone?
The molecular weight of 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone is 278.91 g/mol.
Where can I buy 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone?
You can request a quote for 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone 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-Trichlorophenyl)-2-thiocyanatoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,5-Trichlorophenyl)-2-thiocyanatoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.