ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate
TL;DR: ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate (CAS 22043-37-4) is a chemical compound with molecular formula C9H11N3OS and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate
Also Known As: NCIOpen2_007096, 2-ethyl-1-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]isothiourea, Ethyl 2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinecarbimidothioate, ethyl N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]carbamimidothioate
| Molecular Formula | C9H11N3OS |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.06229 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 22043-37-4 |
|---|---|
| SMILES | CCSC(=N)N=NC1=CC=C(C=C1)O |
| InChIKey | BLOOXVFSSAIMJQ-UHFFFAOYSA-N |
Product Overview
ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate (CAS 22043-37-4), with molecular formula C9H11N3OS and molecular weight 209.06 g/mol. IUPAC: ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate.
Chemical Property Profile of ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate
Property Insights of ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate
The XLogP value of 3.0 indicates that ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate. Following Lipinski's Rule of Five, ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate has 2 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 ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate?
The CAS number of ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate is 22043-37-4.
What is the molecular formula of ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate?
The molecular formula of ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate is C9H11N3OS.
What is the molecular weight of ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate?
The molecular weight of ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate is 209.06 g/mol.
Where can I buy ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate?
You can request a quote for ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(4-hydroxyphenyl)iminocarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.