![2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide structure](/static/products/852/85296-20-4.png)
2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide
TL;DR: 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide (CAS 85296-20-4) is a chemical compound with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chloroacetyl)amino]-3,5-dimethylphenyl] thiocyanate
Also Known As: 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide, 4-[(chloroacetyl)amino]-3,5-dimethylphenyl thiocyanate, [4-[(2-chloroacetyl)amino]-3,5-dimethylphenyl] thiocyanate, thiocyanic acid [4-[(2-chloro-1-oxoethyl)amino]-3,5-dimethylphenyl] ester, [4-(2-chloranylethanoylamino)-3,5-dimethyl-phenyl] thiocyanate
| Molecular Formula | C11H11ClN2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 3.05392 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.02806 |
| Heavy Atoms | 16 |
| Complexity | 430.78317 |
Chemical Identifiers
| CAS Number | 85296-20-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=O)CCl)C)SC#N |
Product Overview
2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide (CAS 85296-20-4), with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol. IUPAC: [4-[(2-chloroacetyl)amino]-3,5-dimethylphenyl] thiocyanate.
Chemical Property Profile of 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide
Property Insights of 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide
The XLogP value of 3.05392 indicates that 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide has 1 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 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide?
The CAS number of 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide is 85296-20-4.
What is the molecular formula of 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide?
The molecular formula of 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide is C11H11ClN2OS.
What is the molecular weight of 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide?
The molecular weight of 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide is 254.03 g/mol.
Where can I buy 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide?
You can request a quote for 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[4-(cyanosulfanyl)-2,6-dimethylphenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.