S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate
TL;DR: S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate (CAS 17072-91-2) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate
Also Known As: S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate, S-Ethyl (2Z)-2-[(benzyloxy)imino]butanethioate
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 3.2489 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 376.26566 |
Chemical Identifiers
| CAS Number | 17072-91-2 |
|---|---|
| SMILES | CC/C(=N/OCC1=CC=CC=C1)/C(=O)SCC |
Product Overview
S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate (CAS 17072-91-2), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate.
Chemical Property Profile of S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate
Property Insights of S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate
The XLogP value of 3.2489 indicates that S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate has 0 hydrogen bond donor(s) and 4 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-ethyl (2Z)-2-phenylmethoxyiminobutanethioate?
The CAS number of S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate is 17072-91-2.
What is the molecular formula of S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate?
The molecular formula of S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate is C13H17NO2S.
What is the molecular weight of S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate?
The molecular weight of S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate is 251.10 g/mol.
Where can I buy S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate?
You can request a quote for S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl (2Z)-2-phenylmethoxyiminobutanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.