2-巯基乙酸 2-丁氧基乙酯
TL;DR: 2-巯基乙酸 2-丁氧基乙酯 (CAS 27447-53-6) is a chemical compound with molecular formula C8H16O3S and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-巯基乙酸 2-丁氧基乙酯
2-butoxyethyl 2-sulfanylacetate
Also Known As: 2-Butoxyethyl mercaptoacetate, 2-butoxyethyl sulfanylacetate, 2-butoxyethyl 2-sulfanylacetate, Mercaptoaceticacid2-butoxyethylester, Acetic acid, mercapto-, 2-butoxyethyl ester
| Molecular Formula | C8H16O3S |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 36.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.08202 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 27447-53-6 |
|---|---|
| SMILES | CCCCOCCOC(=O)CS |
| InChIKey | QYODZCNAXNABHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-巯基乙酸 2-丁氧基乙酯 (CAS 27447-53-6), with molecular formula C8H16O3S and molecular weight 192.08 g/mol. IUPAC: 2-butoxyethyl 2-sulfanylacetate.
Chemical Property Profile of 2-巯基乙酸 2-丁氧基乙酯
Property Insights of 2-巯基乙酸 2-丁氧基乙酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-巯基乙酸 2-丁氧基乙酯. With a topological polar surface area (TPSA) of 36.5 Ų, 2-巯基乙酸 2-丁氧基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-巯基乙酸 2-丁氧基乙酯 has 1 hydrogen bond donor(s) and 4 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-巯基乙酸 2-丁氧基乙酯?
The CAS number of 2-巯基乙酸 2-丁氧基乙酯 is 27447-53-6.
What is the molecular formula of 2-巯基乙酸 2-丁氧基乙酯?
The molecular formula of 2-巯基乙酸 2-丁氧基乙酯 is C8H16O3S.
What is the molecular weight of 2-巯基乙酸 2-丁氧基乙酯?
The molecular weight of 2-巯基乙酸 2-丁氧基乙酯 is 192.08 g/mol.
Where can I buy 2-巯基乙酸 2-丁氧基乙酯?
You can request a quote for 2-巯基乙酸 2-丁氧基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-巯基乙酸 2-丁氧基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-巯基乙酸 2-丁氧基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.