Propyl 2-sulfanylacetate
TL;DR: Propyl 2-sulfanylacetate (CAS 16849-94-8) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-sulfanylacetate
Also Known As: propyl 2-sulfanylacetate, Propyl mercaptoacetate, Propyl thioglycolate, Propyl sulfanylacetate, propyl 2-mercaptoacetate
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 16849-94-8 |
|---|---|
| SMILES | CCCOC(=O)CS |
| InChIKey | YHPUTXNFABTCGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-sulfanylacetate (CAS 16849-94-8), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: propyl 2-sulfanylacetate.
Chemical Property Profile of Propyl 2-sulfanylacetate
Property Insights of Propyl 2-sulfanylacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-sulfanylacetate. With a topological polar surface area (TPSA) of 27.3 Ų, Propyl 2-sulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-sulfanylacetate 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 Propyl 2-sulfanylacetate?
The CAS number of Propyl 2-sulfanylacetate is 16849-94-8.
What is the molecular formula of Propyl 2-sulfanylacetate?
The molecular formula of Propyl 2-sulfanylacetate is C5H10O2S.
What is the molecular weight of Propyl 2-sulfanylacetate?
The molecular weight of Propyl 2-sulfanylacetate is 134.04 g/mol.
Where can I buy Propyl 2-sulfanylacetate?
You can request a quote for Propyl 2-sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.