![{1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile structure](/static/products/851/851176-23-3.png)
{1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile
TL;DR: {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile (CAS 851176-23-3) 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-(3,4-dichlorophenyl)-3-oxobutan-2-yl] thiocyanate
Also Known As: 3-(cyanosulfanyl)-4-(3,4-dichlorophenyl)butan-2-one, 4-(3,4-Dichloro-phenyl)-3-thiocyanato-butan-2-one, [1-(3,4-dichlorophenyl)-3-oxobutan-2-yl] thiocyanate, {1-[(3,4-dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile
| 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 | 851176-23-3 |
|---|---|
| SMILES | CC(=O)C(CC1=CC(=C(C=C1)Cl)Cl)SC#N |
Product Overview
{1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile (CAS 851176-23-3), with molecular formula C11H9Cl2NOS and molecular weight 272.98 g/mol. IUPAC: [1-(3,4-dichlorophenyl)-3-oxobutan-2-yl] thiocyanate.
Chemical Property Profile of {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile
Property Insights of {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile
The XLogP value of 3.70778 indicates that {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile 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-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile 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-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile?
The CAS number of {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile is 851176-23-3.
What is the molecular formula of {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile?
The molecular formula of {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile is C11H9Cl2NOS.
What is the molecular weight of {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile?
The molecular weight of {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile is 272.98 g/mol.
Where can I buy {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile?
You can request a quote for {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for {1-[(3,4-Dichlorophenyl)methyl]-2-oxopropyl}thiocarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.