1-(4-Chlorobenzylthio)acetone
TL;DR: 1-(4-Chlorobenzylthio)acetone (CAS 40939-03-5) is a chemical compound with molecular formula C10H11ClOS and molecular weight 214.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methylsulfanyl]propan-2-one
Also Known As: 1-(4-Chlorobenzylthio)acetone, EINECS 255-145-4, 1-[(4-chlorophenyl)methylsulfanyl]propan-2-one, 1-{[(4-CHLOROPHENYL)METHYL]SULFANYL}PROPAN-2-ONE, 2-Propanone, 1-(((4-chlorophenyl)methyl)thio)-
| Molecular Formula | C10H11ClOS |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | 3.1622 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.02191 |
| Heavy Atoms | 13 |
| Complexity | 281.48114 |
Chemical Identifiers
| CAS Number | 40939-03-5 |
|---|---|
| SMILES | CC(=O)CSCC1=CC=C(C=C1)Cl |
Product Overview
1-(4-Chlorobenzylthio)acetone (CAS 40939-03-5), with molecular formula C10H11ClOS and molecular weight 214.02 g/mol. IUPAC: 1-[(4-chlorophenyl)methylsulfanyl]propan-2-one.
Chemical Property Profile of 1-(4-Chlorobenzylthio)acetone
Property Insights of 1-(4-Chlorobenzylthio)acetone
The XLogP value of 3.1622 indicates that 1-(4-Chlorobenzylthio)acetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(4-Chlorobenzylthio)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzylthio)acetone has 0 hydrogen bond donor(s) and 2 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-(4-Chlorobenzylthio)acetone?
The CAS number of 1-(4-Chlorobenzylthio)acetone is 40939-03-5.
What is the molecular formula of 1-(4-Chlorobenzylthio)acetone?
The molecular formula of 1-(4-Chlorobenzylthio)acetone is C10H11ClOS.
What is the molecular weight of 1-(4-Chlorobenzylthio)acetone?
The molecular weight of 1-(4-Chlorobenzylthio)acetone is 214.02 g/mol.
Where can I buy 1-(4-Chlorobenzylthio)acetone?
You can request a quote for 1-(4-Chlorobenzylthio)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzylthio)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzylthio)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.