![[1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate structure](/static/products/793/793679-14-8.png)
[1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate
TL;DR: [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate (CAS 793679-14-8) is a chemical compound with molecular formula C11H9Cl2NOS and molecular weight 272.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,5-dichlorophenyl)-3-oxobutan-2-yl] thiocyanate
Also Known As: 4-(2,5-Dichloro-phenyl)-3-thiocyanato-butan-2-one, [1-(2,5-dichlorophenyl)-3-oxobutan-2-yl] thiocyanate
| Molecular Formula | C11H9Cl2NOS |
|---|---|
| Molecular Weight | 272.98 g/mol |
| LogP | 3.70778 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.97818 |
| Heavy Atoms | 16 |
| Complexity | 442.10098 |
Chemical Identifiers
| CAS Number | 793679-14-8 |
|---|---|
| SMILES | CC(=O)C(CC1=C(C=CC(=C1)Cl)Cl)SC#N |
Product Overview
[1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate (CAS 793679-14-8), with molecular formula C11H9Cl2NOS and molecular weight 272.98 g/mol. IUPAC: [1-(2,5-dichlorophenyl)-3-oxobutan-2-yl] thiocyanate.
Chemical Property Profile of [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate
Property Insights of [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate
The XLogP value of 3.70778 indicates that [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate 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-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate 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-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate?
The CAS number of [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate is 793679-14-8.
What is the molecular formula of [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate?
The molecular formula of [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate is C11H9Cl2NOS.
What is the molecular weight of [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate?
The molecular weight of [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate is 272.98 g/mol.
Where can I buy [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate?
You can request a quote for [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [1-(2,5-Dichlorophenyl)-3-oxobutan-2-yl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.