Pentyl mercaptoacetate
TL;DR: Pentyl mercaptoacetate (CAS 6380-70-7) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-sulfanylacetate
Also Known As: Pentyl mercaptoacetate, pentyl 2-sulfanylacetate, pentyl sulfanylacetate, Pentyl 2-mercaptoacetate, Mercaptoacetic acid pentyl ester
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 6380-70-7 |
|---|---|
| SMILES | CCCCCOC(=O)CS |
| InChIKey | ZXIWFYQVPPOSNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl mercaptoacetate (CAS 6380-70-7), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: pentyl 2-sulfanylacetate.
Chemical Property Profile of Pentyl mercaptoacetate
Property Insights of Pentyl mercaptoacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl mercaptoacetate. With a topological polar surface area (TPSA) of 27.3 Ų, Pentyl mercaptoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl mercaptoacetate has 1 hydrogen bond donor(s) and 3 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 Pentyl mercaptoacetate?
The CAS number of Pentyl mercaptoacetate is 6380-70-7.
What is the molecular formula of Pentyl mercaptoacetate?
The molecular formula of Pentyl mercaptoacetate is C7H14O2S.
What is the molecular weight of Pentyl mercaptoacetate?
The molecular weight of Pentyl mercaptoacetate is 162.07 g/mol.
Where can I buy Pentyl mercaptoacetate?
You can request a quote for Pentyl mercaptoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl mercaptoacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl mercaptoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.