S-benzyl 3-methoxypropanethioate
TL;DR: S-benzyl 3-methoxypropanethioate (CAS 61540-10-1) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl 3-methoxypropanethioate
Also Known As: S-benzyl 3-methoxypropanethioate
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 61540-10-1 |
|---|---|
| SMILES | COCCC(=O)SCC1=CC=CC=C1 |
| InChIKey | OWZFUHZGNWFVRV-UHFFFAOYSA-N |
Product Overview
S-benzyl 3-methoxypropanethioate (CAS 61540-10-1), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: S-benzyl 3-methoxypropanethioate.
Chemical Property Profile of S-benzyl 3-methoxypropanethioate
Property Insights of S-benzyl 3-methoxypropanethioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-benzyl 3-methoxypropanethioate. With a topological polar surface area (TPSA) of 51.6 Ų, S-benzyl 3-methoxypropanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-benzyl 3-methoxypropanethioate 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 S-benzyl 3-methoxypropanethioate?
The CAS number of S-benzyl 3-methoxypropanethioate is 61540-10-1.
What is the molecular formula of S-benzyl 3-methoxypropanethioate?
The molecular formula of S-benzyl 3-methoxypropanethioate is C11H14O2S.
What is the molecular weight of S-benzyl 3-methoxypropanethioate?
The molecular weight of S-benzyl 3-methoxypropanethioate is 210.07 g/mol.
Where can I buy S-benzyl 3-methoxypropanethioate?
You can request a quote for S-benzyl 3-methoxypropanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-benzyl 3-methoxypropanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-benzyl 3-methoxypropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.