(4-methylphenyl) N-hydroxy-2-methylpropanimidothioate
TL;DR: (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate (CAS 713-77-9) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) N-hydroxy-2-methylpropanimidothioate
Also Known As: S-p-Tolyl-isobutyrothiohydroximat, (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 713-77-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=NO)C(C)C |
| InChIKey | QQXAJRSQGSNEJU-UHFFFAOYSA-N |
Product Overview
(4-methylphenyl) N-hydroxy-2-methylpropanimidothioate (CAS 713-77-9), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate.
Chemical Property Profile of (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate
Property Insights of (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate
The XLogP value of 3.9 indicates that (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate 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 (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate?
The CAS number of (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate is 713-77-9.
What is the molecular formula of (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate?
The molecular formula of (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate is C11H15NOS.
What is the molecular weight of (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate?
The molecular weight of (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate is 209.09 g/mol.
Where can I buy (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate?
You can request a quote for (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (4-methylphenyl) N-hydroxy-2-methylpropanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.