硫代乙酸S-2,3-环硫丙酯
TL;DR: 硫代乙酸S-2,3-环硫丙酯 (CAS 25435-29-4) is a chemical compound with molecular formula C5H8OS2 and molecular weight 148.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸S-2,3-环硫丙酯
S-(thiiran-2-ylmethyl) ethanethioate
Also Known As: Episulphide deriv., 2-(acetylthiomethyl)thiirane, Thioacetic acid S-2,3-epithiopropyl ester, S-(thiiran-2-ylmethyl) ethanethioate, Ethanethioic acid, S-(thiiranylmethyl) ester
| Molecular Formula | C5H8OS2 |
|---|---|
| Molecular Weight | 148.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.00166 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 25435-29-4 |
|---|---|
| SMILES | CC(=O)SCC1CS1 |
| InChIKey | RYXXPKBZMAJJFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代乙酸S-2,3-环硫丙酯 (CAS 25435-29-4), with molecular formula C5H8OS2 and molecular weight 148.00 g/mol. IUPAC: S-(thiiran-2-ylmethyl) ethanethioate.
Chemical Property Profile of 硫代乙酸S-2,3-环硫丙酯
Property Insights of 硫代乙酸S-2,3-环硫丙酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸S-2,3-环硫丙酯. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫代乙酸S-2,3-环硫丙酯. Following Lipinski's Rule of Five, 硫代乙酸S-2,3-环硫丙酯 has 0 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 硫代乙酸S-2,3-环硫丙酯?
The CAS number of 硫代乙酸S-2,3-环硫丙酯 is 25435-29-4.
What is the molecular formula of 硫代乙酸S-2,3-环硫丙酯?
The molecular formula of 硫代乙酸S-2,3-环硫丙酯 is C5H8OS2.
What is the molecular weight of 硫代乙酸S-2,3-环硫丙酯?
The molecular weight of 硫代乙酸S-2,3-环硫丙酯 is 148.00 g/mol.
Where can I buy 硫代乙酸S-2,3-环硫丙酯?
You can request a quote for 硫代乙酸S-2,3-环硫丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代乙酸S-2,3-环硫丙酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸S-2,3-环硫丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.