2-Chloroethyl heptyl sulfide
TL;DR: 2-Chloroethyl heptyl sulfide (CAS 24475-71-6) is a chemical compound with molecular formula C9H19ClS and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethylsulfanyl)heptane
Also Known As: 2-chloroethyl heptyl sulfide, 1-(2-chloroethylsulfanyl)heptane, Heptane,1-[(2-chloroethyl)thio]-, 1-[(2-CHLOROETHYL)SULFANYL]HEPTANE
| Molecular Formula | C9H19ClS |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 194.0896 |
| Heavy Atoms | 11 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 24475-71-6 |
|---|---|
| SMILES | CCCCCCCSCCCl |
| InChIKey | VKGLGJGDQKNUQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl heptyl sulfide (CAS 24475-71-6), with molecular formula C9H19ClS and molecular weight 194.09 g/mol. IUPAC: 1-(2-chloroethylsulfanyl)heptane.
Chemical Property Profile of 2-Chloroethyl heptyl sulfide
Property Insights of 2-Chloroethyl heptyl sulfide
The XLogP value of 4.3 indicates that 2-Chloroethyl heptyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Chloroethyl heptyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl heptyl sulfide 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 2-Chloroethyl heptyl sulfide?
The CAS number of 2-Chloroethyl heptyl sulfide is 24475-71-6.
What is the molecular formula of 2-Chloroethyl heptyl sulfide?
The molecular formula of 2-Chloroethyl heptyl sulfide is C9H19ClS.
What is the molecular weight of 2-Chloroethyl heptyl sulfide?
The molecular weight of 2-Chloroethyl heptyl sulfide is 194.09 g/mol.
Where can I buy 2-Chloroethyl heptyl sulfide?
You can request a quote for 2-Chloroethyl heptyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl heptyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl heptyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.