![2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide structure](/static/products/852/85296-18-0.png)
2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide
TL;DR: 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide (CAS 85296-18-0) is a chemical compound with molecular formula C10H9ClN2OS and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chloroacetyl)amino]-3-methylphenyl] thiocyanate
Also Known As: 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide, 4-[(chloroacetyl)amino]-3-methylphenyl thiocyanate, [4-[(2-chloroacetyl)amino]-3-methylphenyl] thiocyanate
| Molecular Formula | C10H9ClN2OS |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 2.7455 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.0124 |
| Heavy Atoms | 15 |
| Complexity | 414.3737 |
Chemical Identifiers
| CAS Number | 85296-18-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)SC#N)NC(=O)CCl |
Product Overview
2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide (CAS 85296-18-0), with molecular formula C10H9ClN2OS and molecular weight 240.01 g/mol. IUPAC: [4-[(2-chloroacetyl)amino]-3-methylphenyl] thiocyanate.
Chemical Property Profile of 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide
Property Insights of 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide
The XLogP value of 2.7455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide. With a topological polar surface area (TPSA) of 52.89 Ų, 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]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-methylphenyl]acetamide?
The CAS number of 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide is 85296-18-0.
What is the molecular formula of 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide?
The molecular formula of 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide is C10H9ClN2OS.
What is the molecular weight of 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide?
The molecular weight of 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide is 240.01 g/mol.
Where can I buy 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide?
You can request a quote for 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]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-methylphenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[4-(cyanosulfanyl)-2-methylphenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.