3-氯-2-甲基丙烷-1-硫醇乙酸酯
TL;DR: 3-氯-2-甲基丙烷-1-硫醇乙酸酯 (CAS 116008-86-7) is a chemical compound with molecular formula C6H11ClOS and molecular weight 166.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-2-甲基丙烷-1-硫醇乙酸酯
S-(3-chloro-2-methylpropyl) ethanethioate
Also Known As: S-(3-chloro-2-methylpropyl) ethanethioate, Thioacetic Acid S-(3-Chloro-2-Methyl-Propyl) Ester, 3-Chloro-2-methyl-1-propanethiol acetate, Thioessigsaeure-S-(, A-chlor-isobutylester)
| Molecular Formula | C6H11ClOS |
|---|---|
| Molecular Weight | 166.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.02191 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 116008-86-7 |
|---|---|
| SMILES | CC(CSC(=O)C)CCl |
| InChIKey | KGNUAYYKUDBSBB-UHFFFAOYSA-N |
Product Overview
3-氯-2-甲基丙烷-1-硫醇乙酸酯 (CAS 116008-86-7), with molecular formula C6H11ClOS and molecular weight 166.02 g/mol. IUPAC: S-(3-chloro-2-methylpropyl) ethanethioate.
Chemical Property Profile of 3-氯-2-甲基丙烷-1-硫醇乙酸酯
Property Insights of 3-氯-2-甲基丙烷-1-硫醇乙酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-2-甲基丙烷-1-硫醇乙酸酯. With a topological polar surface area (TPSA) of 42.4 Ų, 3-氯-2-甲基丙烷-1-硫醇乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-2-甲基丙烷-1-硫醇乙酸酯 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 3-氯-2-甲基丙烷-1-硫醇乙酸酯?
The CAS number of 3-氯-2-甲基丙烷-1-硫醇乙酸酯 is 116008-86-7.
What is the molecular formula of 3-氯-2-甲基丙烷-1-硫醇乙酸酯?
The molecular formula of 3-氯-2-甲基丙烷-1-硫醇乙酸酯 is C6H11ClOS.
What is the molecular weight of 3-氯-2-甲基丙烷-1-硫醇乙酸酯?
The molecular weight of 3-氯-2-甲基丙烷-1-硫醇乙酸酯 is 166.02 g/mol.
Where can I buy 3-氯-2-甲基丙烷-1-硫醇乙酸酯?
You can request a quote for 3-氯-2-甲基丙烷-1-硫醇乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-2-甲基丙烷-1-硫醇乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-2-甲基丙烷-1-硫醇乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.