Methyl N-hydroxyethanimidothioate
TL;DR: Methyl N-hydroxyethanimidothioate (CAS 13749-94-5) is a chemical compound with molecular formula C3H7NOS and molecular weight 105.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-hydroxyethanimidothioate
Also Known As: Methomyl oxime, Methomyl-oxime, Methyl N-hydroxyethanimidothioate, Methyl thioacetohydroxamate, 1-(Methylthio)acetaldoxime
| Molecular Formula | C3H7NOS |
|---|---|
| Molecular Weight | 105.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.02483 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 13749-94-5 |
|---|---|
| SMILES | CC(=NO)SC |
| InChIKey | TYEVWCPZVQACAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-hydroxyethanimidothioate (CAS 13749-94-5), with molecular formula C3H7NOS and molecular weight 105.02 g/mol. IUPAC: methyl N-hydroxyethanimidothioate.
Chemical Property Profile of Methyl N-hydroxyethanimidothioate
Property Insights of Methyl N-hydroxyethanimidothioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-hydroxyethanimidothioate. With a topological polar surface area (TPSA) of 57.9 Ų, Methyl N-hydroxyethanimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-hydroxyethanimidothioate 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 Methyl N-hydroxyethanimidothioate?
The CAS number of Methyl N-hydroxyethanimidothioate is 13749-94-5.
What is the molecular formula of Methyl N-hydroxyethanimidothioate?
The molecular formula of Methyl N-hydroxyethanimidothioate is C3H7NOS.
What is the molecular weight of Methyl N-hydroxyethanimidothioate?
The molecular weight of Methyl N-hydroxyethanimidothioate is 105.02 g/mol.
Where can I buy Methyl N-hydroxyethanimidothioate?
You can request a quote for Methyl N-hydroxyethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-hydroxyethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-hydroxyethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.