1-(Chloromethylsulfanyl)propane
TL;DR: 1-(Chloromethylsulfanyl)propane (CAS 42330-15-4) is a chemical compound with molecular formula C4H9ClS and molecular weight 124.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethylsulfanyl)propane
Also Known As: chloromethylpropyl sulfide, 1-(chloromethylsulfanyl)propane, Chlormethylpropyl sulfide, Chloromethyl n-propyl sulfide, Propane, 1-[(chloromethyl)thio]-
| Molecular Formula | C4H9ClS |
|---|---|
| Molecular Weight | 124.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.01135 |
| Heavy Atoms | 6 |
| Complexity | 23.0 |
Chemical Identifiers
| CAS Number | 42330-15-4 |
|---|---|
| SMILES | CCCSCCl |
| InChIKey | IUPCBPIYSNBNMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethylsulfanyl)propane (CAS 42330-15-4), with molecular formula C4H9ClS and molecular weight 124.01 g/mol. IUPAC: 1-(chloromethylsulfanyl)propane.
Chemical Property Profile of 1-(Chloromethylsulfanyl)propane
Property Insights of 1-(Chloromethylsulfanyl)propane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethylsulfanyl)propane. With a topological polar surface area (TPSA) of 25.3 Ų, 1-(Chloromethylsulfanyl)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethylsulfanyl)propane has 0 hydrogen bond donor(s) and 1 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-(Chloromethylsulfanyl)propane?
The CAS number of 1-(Chloromethylsulfanyl)propane is 42330-15-4.
What is the molecular formula of 1-(Chloromethylsulfanyl)propane?
The molecular formula of 1-(Chloromethylsulfanyl)propane is C4H9ClS.
What is the molecular weight of 1-(Chloromethylsulfanyl)propane?
The molecular weight of 1-(Chloromethylsulfanyl)propane is 124.01 g/mol.
Where can I buy 1-(Chloromethylsulfanyl)propane?
You can request a quote for 1-(Chloromethylsulfanyl)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethylsulfanyl)propane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethylsulfanyl)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.