![1-[(2-Chloroethyl)sulfanyl]-3-methylbutane structure](/static/products/1268/126823-30-1.webp)
1-[(2-Chloroethyl)sulfanyl]-3-methylbutane
TL;DR: 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane (CAS 126823-30-1) is a chemical compound with molecular formula C7H15ClS and molecular weight 166.0583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethylsulfanyl)-3-methylbutane
Also Known As: 2-Chloroethyl, isoamyl sulfide, 1-(2-chloroethylsulfanyl)-3-methylbutane, 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane, 1-chloro-2-isopentylsulfanyl-ethane, 2-CHLOROETHYL ISOAMYL SULFIDE
Technical Specifications
| Molecular Formula | C7H15ClS |
| Molecular Weight | 166.0583 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.0583 Da |
| Heavy Atoms | 9 |
| Complexity | 54.0 |
| SMILES | CC(C)CCSCCCl |
| InChIKey | QVORVXJRTWLNDC-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane
Property Insights of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane
The XLogP value of 3.2 indicates that 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane 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
What is the CAS number of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane?
The CAS number of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane is 126823-30-1.
What is the molecular formula of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane?
The molecular formula of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane is C7H15ClS.
What is the molecular weight of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane?
The molecular weight of 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane is 166.0583 g/mol.
Where can I buy 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane?
You can request a quote for 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane?
Yes, CoreyChem provides custom synthesis services for 1-[(2-Chloroethyl)sulfanyl]-3-methylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.