4-Pyridylmercaptoacetyl chloride hydrochloride
TL;DR: 4-Pyridylmercaptoacetyl chloride hydrochloride (CAS 27230-51-9) is a chemical compound with molecular formula C7H7Cl2NOS and molecular weight 222.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-4-ylsulfanylacetyl chloride;hydrochloride
Also Known As: 4-Pyridylmercaptoacetyl chloride hydrochloride, 4-pyridylmercapto acetyl chloride hydrochloride, (4-Pyridylthio)acetyl chloride hydrochloride, 4-PYRIDYLMERCAPTO ACETYL CHLORIDE HCL, 4-Pyridylmercaptoacetyl chloride HCl
| Molecular Formula | C7H7Cl2NOS |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 2.36 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.96254 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 27230-51-9 |
|---|---|
| SMILES | C1=CN=CC=C1SCC(=O)Cl.Cl |
| InChIKey | ONINFWNBKWMUCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyridylmercaptoacetyl chloride hydrochloride (CAS 27230-51-9), with molecular formula C7H7Cl2NOS and molecular weight 222.96 g/mol. IUPAC: 2-pyridin-4-ylsulfanylacetyl chloride;hydrochloride.
Chemical Property Profile of 4-Pyridylmercaptoacetyl chloride hydrochloride
Property Insights of 4-Pyridylmercaptoacetyl chloride hydrochloride
The XLogP value of 2.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridylmercaptoacetyl chloride hydrochloride. With a topological polar surface area (TPSA) of 55.3 Ų, 4-Pyridylmercaptoacetyl chloride hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridylmercaptoacetyl chloride hydrochloride 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 4-Pyridylmercaptoacetyl chloride hydrochloride?
The CAS number of 4-Pyridylmercaptoacetyl chloride hydrochloride is 27230-51-9.
What is the molecular formula of 4-Pyridylmercaptoacetyl chloride hydrochloride?
The molecular formula of 4-Pyridylmercaptoacetyl chloride hydrochloride is C7H7Cl2NOS.
What is the molecular weight of 4-Pyridylmercaptoacetyl chloride hydrochloride?
The molecular weight of 4-Pyridylmercaptoacetyl chloride hydrochloride is 222.96 g/mol.
Where can I buy 4-Pyridylmercaptoacetyl chloride hydrochloride?
You can request a quote for 4-Pyridylmercaptoacetyl chloride hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridylmercaptoacetyl chloride hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridylmercaptoacetyl chloride hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.