2-Methoxy-4-(methylthio)benzoyl chloride
TL;DR: 2-Methoxy-4-(methylthio)benzoyl chloride (CAS 69883-78-9) is a chemical compound with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-methylsulfanylbenzoyl chloride
Also Known As: 2-methoxy-4-(methylthio)benzoyl chloride, 2-methoxy-4-methylsulfanylbenzoyl chloride, 2-methoxy-4-methylmercapto-benzoylchloride, 2-methoxy-4-methylmercapto-benzoyl chloride
| Molecular Formula | C9H9ClO2S |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 2.7961 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.00117 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 69883-78-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC)C(=O)Cl |
Product Overview
2-Methoxy-4-(methylthio)benzoyl chloride (CAS 69883-78-9), with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol. IUPAC: 2-methoxy-4-methylsulfanylbenzoyl chloride.
Chemical Property Profile of 2-Methoxy-4-(methylthio)benzoyl chloride
Property Insights of 2-Methoxy-4-(methylthio)benzoyl chloride
The XLogP value of 2.7961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-(methylthio)benzoyl chloride. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methoxy-4-(methylthio)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-(methylthio)benzoyl chloride 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 2-Methoxy-4-(methylthio)benzoyl chloride?
The CAS number of 2-Methoxy-4-(methylthio)benzoyl chloride is 69883-78-9.
What is the molecular formula of 2-Methoxy-4-(methylthio)benzoyl chloride?
The molecular formula of 2-Methoxy-4-(methylthio)benzoyl chloride is C9H9ClO2S.
What is the molecular weight of 2-Methoxy-4-(methylthio)benzoyl chloride?
The molecular weight of 2-Methoxy-4-(methylthio)benzoyl chloride is 216.00 g/mol.
Where can I buy 2-Methoxy-4-(methylthio)benzoyl chloride?
You can request a quote for 2-Methoxy-4-(methylthio)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(methylthio)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(methylthio)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.