S-(3-Hydroxypropyl) ethanethioate
TL;DR: S-(3-Hydroxypropyl) ethanethioate (CAS 115051-66-6) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(3-hydroxypropyl) ethanethioate
Also Known As: S-(3-Hydroxypropyl) ethanethioate, 1-[(3-hydroxypropyl)sulfanyl]ethan-1-one, S-(3-Hydroxypropyl) thioacetate, S-acetyl-3-thiopropyl alcohol, S-(3-hydroxypropyl)-thioacetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.04015 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.04015 Da |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| SMILES | CC(=O)SCCCO |
| InChIKey | ADIJNQVLNHDJIF-UHFFFAOYSA-N |
Chemical Property Profile of S-(3-Hydroxypropyl) ethanethioate
Property Insights of S-(3-Hydroxypropyl) ethanethioate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(3-Hydroxypropyl) ethanethioate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3-Hydroxypropyl) ethanethioate. Following Lipinski's Rule of Five, S-(3-Hydroxypropyl) ethanethioate 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
What is the CAS number of S-(3-Hydroxypropyl) ethanethioate?
The CAS number of S-(3-Hydroxypropyl) ethanethioate is 115051-66-6.
What is the molecular formula of S-(3-Hydroxypropyl) ethanethioate?
The molecular formula of S-(3-Hydroxypropyl) ethanethioate is C5H10O2S.
What is the molecular weight of S-(3-Hydroxypropyl) ethanethioate?
The molecular weight of S-(3-Hydroxypropyl) ethanethioate is 134.04015 g/mol.
Where can I buy S-(3-Hydroxypropyl) ethanethioate?
You can request a quote for S-(3-Hydroxypropyl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(3-Hydroxypropyl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-(3-Hydroxypropyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.